Pub Date : 2025-09-01DOI: 10.1107/S2414314625008065
Frederick P. Malan , Kariska Potgieter , Reinout Meijboom
The synthesis and single crystal structure description of a silver(I) polymer featuring tris(4-methoxyphenyl)phosphine and thiocyanato ligands are described.
The coordination polymer, [Ag(NCS)(C21H21O3P)2]n or {[Ag(P(4-OMePh)3)2]-μ-NCS}n, features μ-thiocyanato ligands bridging between neighbouring silver(I) atoms, generating chains along the b-axis direction. Each AgI atom is four-coordinate, with two phosphorus donors from two distinct tris(p-methoxyphenyl)phosphine ligands, and two atoms from the thiocyanato ligands in severely distorted tetrahedral shape. The Ag—P [2.4331 (6) and 2.4625 (5) Å], Ag—N [2.339 (2) Å] and Ag—S [2.6760 (6) Å] bond lengths all appear within the expected ranges, with corresponding P—Ag—P and S—Ag—N angles of 129.610 (19) and 86.75 (6)°. In the crystal, the polymeric chains pack into layers parallel to (001) separated by the aryl groups of the phosphine ligands.
{"title":"catena-Poly[[bis[tris(4-methoxyphenyl)phosphine-κP]silver(I)]-μ-thiocyanato-κ2N:S]","authors":"Frederick P. Malan , Kariska Potgieter , Reinout Meijboom","doi":"10.1107/S2414314625008065","DOIUrl":"10.1107/S2414314625008065","url":null,"abstract":"<div><div>The synthesis and single crystal structure description of a silver(I) polymer featuring tris(4-methoxyphenyl)phosphine and thiocyanato ligands are described.</div></div><div><div>The coordination polymer, [Ag(NCS)(C<sub>21</sub>H<sub>21</sub>O<sub>3</sub>P)<sub>2</sub>]<sub><em>n</em></sub> or {[Ag(P(4-OMePh)<sub>3</sub>)<sub>2</sub>]-μ-NCS}<sub><em>n</em></sub>, features μ-thiocyanato ligands bridging between neighbouring silver(I) atoms, generating chains along the <em>b</em>-axis direction. Each Ag<sup>I</sup> atom is four-coordinate, with two phosphorus donors from two distinct tris(<em>p</em>-methoxyphenyl)phosphine ligands, and two atoms from the thiocyanato ligands in severely distorted tetrahedral shape. The Ag—P [2.4331 (6) and 2.4625 (5) Å], Ag—N [2.339 (2) Å] and Ag—S [2.6760 (6) Å] bond lengths all appear within the expected ranges, with corresponding P—Ag—P and S—Ag—N angles of 129.610 (19) and 86.75 (6)°. In the crystal, the polymeric chains pack into layers parallel to (001) separated by the aryl groups of the phosphine ligands.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (359KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145245878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-01DOI: 10.1107/S2414314625007709
Jingchao Yu , Changzeng Fan , Zhefeng Xu , Bin Wen , Lifeng Zhang
A new intermetallic compound with cubic symmetry belonging to the Mg–Al–Zn–Ga quaternary system is reported,.
The title single-crystal was obtained during the synthesis of a Mg–Al–Zn–Ga alloy, which was achieved by subjecting the alloy to elevated pressures and temperatures. The compound crystallizes in the space group Im3 (No. 204), with seven distinct metal-atom sites. One of these is occupied by gallium, two by aluminium and zinc, one by zinc and magnesium, and three by magnesium. The structure model contains a vacancy-centred Bergman cluster and a 26-face polyhedron centred on one of the magnesium sites. The crystal structure framework in this study shows a marked similarity to previously examined frameworks, but also evinces significant differences [Edagawa et al. (1992). Philos. Mag. B65, 1011–1023].
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标题单晶是在Mg-Al-Zn-Ga合金的合成过程中获得的，这是通过将合金置于高压和高温下实现的。该化合物在空间群Im3 （No. 204）中结晶，具有7个不同的金属原子位置。其中一个是镓，两个是铝和锌，一个是锌和镁，三个是镁。结构模型包含一个以空位为中心的伯格曼簇和一个以镁位点为中心的26面多面体。本研究中的晶体结构框架与之前研究的框架有明显的相似之处，但也有显著的差异[Edagawa et al.(1992)]。费罗斯。[j].地球科学进展[j]。
{"title":"Magnesium aluminium zinc gallium, Mg61.81Al12.77Zn61.41Ga24","authors":"Jingchao Yu , Changzeng Fan , Zhefeng Xu , Bin Wen , Lifeng Zhang","doi":"10.1107/S2414314625007709","DOIUrl":"10.1107/S2414314625007709","url":null,"abstract":"<div><div>A new intermetallic compound with cubic symmetry belonging to the Mg–Al–Zn–Ga quaternary system is reported,.</div></div><div><div>The title single-crystal was obtained during the synthesis of a Mg–Al–Zn–Ga alloy, which was achieved by subjecting the alloy to elevated pressures and temperatures. The compound crystallizes in the space group <em>Im</em>3 (No. 204), with seven distinct metal-atom sites. One of these is occupied by gallium, two by aluminium and zinc, one by zinc and magnesium, and three by magnesium. The structure model contains a vacancy-centred Bergman cluster and a 26-face polyhedron centred on one of the magnesium sites. The crystal structure framework in this study shows a marked similarity to previously examined frameworks, but also evinces significant differences [Edagawa <em>et al.</em> (1992). <em>Philos. Mag. B</em><strong>65</strong>, 1011–1023].<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (198KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-01DOI: 10.1107/S2414314625007795
Mario Geffe , Heiner Detert , Dieter Schollmeyer
The title compound was prepared in a larger project on condensed heterocycles with a focus on the Cadogan reaction. Extension of this method to multiple Cadogan reactions was explored as a way to larger conjugated systems. A twofold Suzuki reaction on a central diboronic acid and chloronitropyridine gave the bis(3-nitropyridin-2-yl)benzene.
The title compound, C18H14N4O6, was prepared in a larger project on condensed heterocycles with a focus on the Cadogan reaction. Extension of this method to multiple Cadogan reactions was explored as a way to larger conjugated systems. A twofold Suzuki reaction on a central diboronic acid and chloronitropyridine gave the bis(3-nitropyridin-2-yl)benzene.
{"title":"2-[2,5-Dimethoxy-4-(3-nitropyridin-2-yl)phenyl]-3-nitropyridine","authors":"Mario Geffe , Heiner Detert , Dieter Schollmeyer","doi":"10.1107/S2414314625007795","DOIUrl":"10.1107/S2414314625007795","url":null,"abstract":"<div><div>The title compound was prepared in a larger project on condensed heterocycles with a focus on the Cadogan reaction. Extension of this method to multiple Cadogan reactions was explored as a way to larger conjugated systems. A twofold Suzuki reaction on a central diboronic acid and chloronitropyridine gave the bis(3-nitropyridin-2-yl)benzene.</div></div><div><div>The title compound, C<sub>18</sub>H<sub>14</sub>N<sub>4</sub>O<sub>6</sub>, was prepared in a larger project on condensed heterocycles with a focus on the Cadogan reaction. Extension of this method to multiple Cadogan reactions was explored as a way to larger conjugated systems. A twofold Suzuki reaction on a central diboronic acid and chloronitropyridine gave the bis(3-nitropyridin-2-yl)benzene.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (397KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The title compound, [ZnCl2(C13H9N3)], is an example for new zinc(II) complexes with the NAD+/NADH model ligand pn [pn = 2-(pyridin-2-yl)[1,5]naphthyridine]. The central zinc(II) atom exhibits a slightly distorted tetrahedral coordination geometry (τ4 = 0.88) with a bidentate pn ligand and two monodentate Cl− ions. In the crystal, two molecules of the title compound show aromatic π–π interactions.
The title zinc(II) complex, [ZnCl2(C13H9N3)], crystallizes in the triclinic space group P1. The coordination environment around the zinc(II) ion in the title complex can be described as a distorted tetrahedron formed by the two N atoms of the NAD+/NADH model ligand pn [pn = 2-(pyridin-2-yl)[1,5]naphthyridine] and two Cl− ions. There are π–π stacking interactions in the crystal packing of the title compound.
{"title":"Dichlorido[2-(pyridin-2-yl-κN)-1,5-naphthyridine-κN1]zinc(II)","authors":"Kodai Tsubokawa , Takuro Iida , Kiyoshi Tsuge , Hideki Ohtsu","doi":"10.1107/S2414314625007643","DOIUrl":"10.1107/S2414314625007643","url":null,"abstract":"<div><div>The title compound, [ZnCl<sub>2</sub>(C<sub>13</sub>H<sub>9</sub>N<sub>3</sub>)], is an example for new zinc(II) complexes with the NAD<sup>+</sup>/NADH model ligand pn [pn = 2-(pyridin-2-yl)[1,5]naphthyridine]. The central zinc(II) atom exhibits a slightly distorted tetrahedral coordination geometry (<em>τ</em><sub>4</sub> = 0.88) with a bidentate pn ligand and two monodentate Cl<sup>−</sup> ions. In the crystal, two molecules of the title compound show aromatic <em>π</em>–<em>π</em> interactions.</div></div><div><div>The title zinc(II) complex, [ZnCl<sub>2</sub>(C<sub>13</sub>H<sub>9</sub>N<sub>3</sub>)], crystallizes in the triclinic space group <em>P</em>1. The coordination environment around the zinc(II) ion in the title complex can be described as a distorted tetrahedron formed by the two N atoms of the NAD<sup>+</sup>/NADH model ligand pn [pn = 2-(pyridin-2-yl)[1,5]naphthyridine] and two Cl<sup>−</sup> ions. There are <em>π</em>–<em>π</em> stacking interactions in the crystal packing of the title compound.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (282KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-01DOI: 10.1107/S2414314625007953
Rao M. Uppu , Ogad A. Agu , Patrick F. Mensah , Guoqiang Li , Frank R. Fronczek
The redetermined structure of the title compound, C12H12N2S, was refined from low-temperature (100 K) single-crystal X-ray diffraction data. Although achiral, the compound crystallizes in Sohncke space group P212121 in a chiral conformation distorted from idealized C2 symmetry. In the extended structure, the NH2 substituents participate in N—H⋯S, N—H⋯N, and N—H⋯π interactions, leading to a three-dimensional hydrogen-bonded array. These results highlight the role of sulfur bridges in tuning packing interactions relevant to polymer design.
The redetermined structure of the title compound, C12H12N2S, was refined from low-temperature (100 K) single-crystal X-ray diffraction data. Although achiral, the compound crystallizes in Sohncke space group P212121 in a chiral conformation distorted from idealized C2 symmetry and the dihedral angle between the phenyl groups is 72.01 (7)°. In the extended structure, the NH2 substituents participate in N—H⋯S, N—H⋯N, and N—H⋯π interactions, leading to a three-dimensional hydrogen-bonded array. These results highlight the role of sulfur bridges in tuning packing interactions relevant to polymer design.
{"title":"4-[(4-Aminophenyl)sulfanyl]aniline","authors":"Rao M. Uppu , Ogad A. Agu , Patrick F. Mensah , Guoqiang Li , Frank R. Fronczek","doi":"10.1107/S2414314625007953","DOIUrl":"10.1107/S2414314625007953","url":null,"abstract":"<div><div>The redetermined structure of the title compound, C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>S, was refined from low-temperature (100 K) single-crystal X-ray diffraction data. Although achiral, the compound crystallizes in Sohncke space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> in a chiral conformation distorted from idealized <em>C</em><sub>2</sub> symmetry. In the extended structure, the NH<sub>2</sub> substituents participate in N—H⋯S, N—H⋯N, and N—H⋯π interactions, leading to a three-dimensional hydrogen-bonded array. These results highlight the role of sulfur bridges in tuning packing interactions relevant to polymer design.</div></div><div><div>The redetermined structure of the title compound, C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>S, was refined from low-temperature (100 K) single-crystal X-ray diffraction data. Although achiral, the compound crystallizes in Sohncke space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> in a chiral conformation distorted from idealized <em>C</em><sub>2</sub> symmetry and the dihedral angle between the phenyl groups is 72.01 (7)°. In the extended structure, the NH<sub>2</sub> substituents participate in N—H⋯S, N—H⋯N, and N—H⋯π interactions, leading to a three-dimensional hydrogen-bonded array. These results highlight the role of sulfur bridges in tuning packing interactions relevant to polymer design.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (202KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-01DOI: 10.1107/S241431462500762X
Abderezak Addala , Zouaoui Setifi , Joel T. Mague , Fatima Setifi , Mohammed Hadi Al-Douh
In the title compound, both metal atoms lie on sites of 2/m symmetry with the NiII ion four-coordinate square planar and the MnII ion six-coordinate octahedral. Both coordination spheres are slightly distorted from the ideal geometries. The {C≡ N→Mn} unit is distinctly non-linear and all four cyano ligands on each [Ni(CN)4]2− unit are coordinated to MnII ions, leading to the formation of an infinite layer structure.
In the crystal of the title compound, [MnNi(CN)4(C3H7NO)2]n, both metal cations lie on sites of 2/m symmetry, with the NiII ion being four-coordinate square-planar and the MnII ion being six-coordinate octahedral. Both coordination spheres are slightly distorted from the ideal shapes. The {C≡N→Mn} unit is distinctly non-linear and all four cyanido ligands on each [Ni(CN)4]2− unit coordinate to MnII ions, leading to the formation of an infinite layer structure. Bond lengths and interbond angles are comparable to those in similar dimetallic, cyanido-bridged compounds.
{"title":"Poly[tetra-μ-cyanido-trans-bis(dimethylformamide-κO)manganese(II)nickel(II)]","authors":"Abderezak Addala , Zouaoui Setifi , Joel T. Mague , Fatima Setifi , Mohammed Hadi Al-Douh","doi":"10.1107/S241431462500762X","DOIUrl":"10.1107/S241431462500762X","url":null,"abstract":"<div><div>In the title compound, both metal atoms lie on sites of 2/<em>m</em> symmetry with the Ni<sup>II</sup> ion four-coordinate square planar and the Mn<sup>II</sup> ion six-coordinate octahedral. Both coordination spheres are slightly distorted from the ideal geometries. The {C≡ N→Mn} unit is distinctly non-linear and all four cyano ligands on each [Ni(CN)<sub>4</sub>]<sup>2−</sup> unit are coordinated to Mn<sup>II</sup> ions, leading to the formation of an infinite layer structure.</div></div><div><div>In the crystal of the title compound, [MnNi(CN)<sub>4</sub>(C<sub>3</sub>H<sub>7</sub>NO)<sub>2</sub>]<sub><em>n</em></sub>, both metal cations lie on sites of 2/<em>m</em> symmetry, with the Ni<sup>II</sup> ion being four-coordinate square-planar and the Mn<sup>II</sup> ion being six-coordinate octahedral. Both coordination spheres are slightly distorted from the ideal shapes. The {C≡N→Mn} unit is distinctly non-linear and all four cyanido ligands on each [Ni(CN)<sub>4</sub>]<sup>2−</sup> unit coordinate to Mn<sup>II</sup> ions, leading to the formation of an infinite layer structure. Bond lengths and interbond angles are comparable to those in similar dimetallic, cyanido-bridged compounds.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (271KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-01DOI: 10.1107/S2414314625008314
Elizabeth Lamothe , Arindam Saha , Garry S. Hanan , Mihaela Cibian
The title compound displays cyclic dimers formed by O—H⋯N hydrogen bonds, as well as π–π and C—H⋯π stacking interactions.
The title compound, C25H20N2O, crystallizes in the monoclinic C2/c space group, as the N-hydroxyformamidine isomer, in the E conformation (when referring to the C=N bond). Inversion dimers formed through pairwise O—H⋯N hydrogen bonds are present in the structure. C—H⋯π and π–π stacking interactions complete the crystal packing.
{"title":"N,N′-Bis([1,1′-biphenyl]-2-yl)-N-hydroxymethanimidamide","authors":"Elizabeth Lamothe , Arindam Saha , Garry S. Hanan , Mihaela Cibian","doi":"10.1107/S2414314625008314","DOIUrl":"10.1107/S2414314625008314","url":null,"abstract":"<div><div>The title compound displays cyclic dimers formed by O—H⋯N hydrogen bonds, as well as π–π and C—H⋯π stacking interactions.</div></div><div><div>The title compound, C<sub>25</sub>H<sub>20</sub>N<sub>2</sub>O, crystallizes in the monoclinic <em>C</em>2/c space group, as the <em>N</em>-hydroxyformamidine isomer, in the <em>E</em> conformation (when referring to the C=N bond). Inversion dimers formed through pairwise O—H⋯N hydrogen bonds are present in the structure. C—H⋯π and π–π stacking interactions complete the crystal packing.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (228KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-01DOI: 10.1107/S2414314625007527
Rund I. Shehadeh , Mason F. Hester , Oliver A. Cernero , Henry C. Neal , Bradley W. Smucker
In the reported structure, ZnII centres with two trans-quinoxaline-2-carboxylato ligands are bridged by 1,2-bis(pyridin-4-yl)ethylene to form polymeric chains.
The title complex, {[Zn(C9H5N2O2)2(C12H10N2)]·0.5H2O}n, has six-coordinate ZnII ions with two trans-bidentate quinoxaline-2-carboxylato ligands and a bridging 1,2-bis(pyridin-4-yl)ethylene ligand, resulting in polymeric chains along the [101] direction. The offset packing of these one-dimensional chains gives rise to inter-chain H⋯O and H⋯ring interactions.
{"title":"catena-Poly[[[bis(quinoxaline-2-carboxylato-κ2N1,O)zinc(II)]-μ2-1,2-bis(pyridin-4-yl)ethene-κ2N:N′] hemihydrate]","authors":"Rund I. Shehadeh , Mason F. Hester , Oliver A. Cernero , Henry C. Neal , Bradley W. Smucker","doi":"10.1107/S2414314625007527","DOIUrl":"10.1107/S2414314625007527","url":null,"abstract":"<div><div>In the reported structure, Zn<sup>II</sup> centres with two <em>trans</em>-quinoxaline-2-carboxylato ligands are bridged by 1,2-bis(pyridin-4-yl)ethylene to form polymeric chains.</div></div><div><div>The title complex, {[Zn(C<sub>9</sub>H<sub>5</sub>N<sub>2</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>10</sub>N<sub>2</sub>)]·0.5H<sub>2</sub>O}<sub><em>n</em></sub>, has six-coordinate Zn<sup>II</sup> ions with two <em>trans</em>-bidentate quinoxaline-2-carboxylato ligands and a bridging 1,2-bis(pyridin-4-yl)ethylene ligand, resulting in polymeric chains along the [101] direction. The offset packing of these one-dimensional chains gives rise to inter-chain H⋯O and H⋯ring interactions.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (286KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145245898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The coordination environment of the central ZnII atom in the zwitterionic molecular title complex is distorted tetrahedral, consisting of one N and three Cl atoms.
The mononuclear zwitterionic ZnII complex, [ZnCl3(C2H9N2)], contains a monodentate 2-ammonioethylamine moiety and three chloride anions coordinating to the central zinc atom in form of a distorted tetrahedron. The molecular packing shows amine and ammonium groups interacting through hydrogen-bonding interactions with chlorine atoms of symmetry-related complexes to form a supramolecular framework structure.
{"title":"(2-Aminoethan-1-aminium-κN2)trichloridozinc(II)","authors":"Aboubacar Diop , Daouda Ndoye , Paul Tinnemans , Ennio Zangrando , Cheikh Abdoul Khadir Diop","doi":"10.1107/S2414314625007710","DOIUrl":"10.1107/S2414314625007710","url":null,"abstract":"<div><div>The coordination environment of the central Zn<sup>II</sup> atom in the zwitterionic molecular title complex is distorted tetrahedral, consisting of one N and three Cl atoms.</div></div><div><div>The mononuclear zwitterionic Zn<sup>II</sup> complex, [ZnCl<sub>3</sub>(C<sub>2</sub>H<sub>9</sub>N<sub>2</sub>)], contains a monodentate 2-ammonioethylamine moiety and three chloride anions coordinating to the central zinc atom in form of a distorted tetrahedron. The molecular packing shows amine and ammonium groups interacting through hydrogen-bonding interactions with chlorine atoms of symmetry-related complexes to form a supramolecular framework structure.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (171KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145245930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-01DOI: 10.1107/S2414314625007758
Adesola A. Adeleke , Sizwe J. Zamisa , Bernard Omondi
The crystal structure of the title compound features a single asymmetric unit with distinct syn-clinal and orthogonal ring arrangements, forming corrugated two-dimensional sheets via C—H⋯π and C—F⋯π interactions that are further reinforced into a three-dimensional network by C—H⋯O, N—H⋯O hydrogen bonds and Cl⋯Cl contacts.
The title compound, C29H22ClFN4O, crystallizes with one molecule in the asymmetric unit. The pyrimidinyl and anilinyl moieties subtend a dihedral angle = 36.65 (5)°, while the dihydropyridine and phenyl rings are approximately orthogonal [dihedral angles = 81.65 (7) and 89.95 (7)°]. The crystal packing reveals alternating C—H⋯π and C—F⋯π interactions forming corrugated two-dimensional sheets along the ac plane, which are further linked into a three-dimensional network through N—H⋯O and C—H⋯O hydrogen bonds and Cl⋯Cl interactions.
{"title":"10-(4-Chlorophenyl)-4-[(4-fluorophenyl)amino]-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","authors":"Adesola A. Adeleke , Sizwe J. Zamisa , Bernard Omondi","doi":"10.1107/S2414314625007758","DOIUrl":"10.1107/S2414314625007758","url":null,"abstract":"<div><div>The crystal structure of the title compound features a single asymmetric unit with distinct <em>syn</em>-clinal and orthogonal ring arrangements, forming corrugated two-dimensional sheets <em>via</em> C—H⋯π and C—F⋯π interactions that are further reinforced into a three-dimensional network by C—H⋯O, N—H⋯O hydrogen bonds and Cl⋯Cl contacts.</div></div><div><div>The title compound, C<sub>29</sub>H<sub>22</sub>ClFN<sub>4</sub>O, crystallizes with one molecule in the asymmetric unit. The pyrimidinyl and anilinyl moieties subtend a dihedral angle = 36.65 (5)°, while the dihydropyridine and phenyl rings are approximately orthogonal [dihedral angles = 81.65 (7) and 89.95 (7)°]. The crystal packing reveals alternating C—H⋯π and C—F⋯π interactions forming corrugated two-dimensional sheets along the <em>ac</em> plane, which are further linked into a three-dimensional network through N—H⋯O and C—H⋯O hydrogen bonds and Cl⋯Cl interactions.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (253KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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