The oxalate-bridged alkali/lanthanide bimetallic coordination polymer is formed by linking Pr3+ and K+ cations atoms through oxalate ligands using a μ4-chelating/bridging coordination mode.
The asymmetric unit of the title oxalate-bridged bimetallic coordination polymer, [KPr(C2O4)2]n, contains one Pr3+ cation, one K+ cation, one complete C2O42– anion, and one half of each of two C2O42– anions positioned on crystallographic inversion centers in the monoclinic space group P21/c. The completely deprotonated C2O42– ligands exhibit a μ4-chelating/bridging coordination mode that connects the Pr3+ and K+ cations into a framework structure.
{"title":"Poly[bis(μ4-oxalato)potassium(I)praseodymium(III)]","authors":"Kanthida Kummoon , Sakchai Laksee , Kittipong Chainok","doi":"10.1107/S2414314625006078","DOIUrl":"10.1107/S2414314625006078","url":null,"abstract":"<div><div>The oxalate-bridged alkali/lanthanide bimetallic coordination polymer is formed by linking Pr<sup>3+</sup> and K<sup>+</sup> cations atoms through oxalate ligands using a <em>μ</em><sub>4</sub>-chelating/bridging coordination mode.</div></div><div><div>The asymmetric unit of the title oxalate-bridged bimetallic coordination polymer, [KPr(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>]<sub><em>n</em></sub>, contains one Pr<sup>3+</sup> cation, one K<sup>+</sup> cation, one complete C<sub>2</sub>O<sub>4</sub><sup>2–</sup> anion, and one half of each of two C<sub>2</sub>O<sub>4</sub><sup>2–</sup> anions positioned on crystallographic inversion centers in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em>. The completely deprotonated C<sub>2</sub>O<sub>4</sub><sup>2–</sup> ligands exhibit a <em>μ</em><sub>4</sub>-chelating/bridging coordination mode that connects the Pr<sup>3+</sup> and K<sup>+</sup> cations into a framework structure.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (284KB)</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 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144801542","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 : 2025-07-01DOI: 10.1107/S2414314625005668
Jasmin Preis , Dieter Schollmeyer , Heiner Detert
Molecules of the title compound, C17H19ClN4O, are essentially planar, the dihedral angles between the planes of the tetraazaindene ring system and the benzene ring and between the benzene ring and the hexyloxy chain being 1.56 (10)° and 5.02 (17)°, respectively. In the crystal, pairs of molecules are connected via π–π interactions between the phenyl ring and the triazolopyridazine moiety.
Molecules of the title compound, C17H19ClN4O, are essentially planar, the dihedral angles between the planes of the tetraazaindene ring system and the benzene ring and between the benzene ring and the hexyloxy chain being 1.56 (10)° and 5.02 (17)°, respectively. In the crystal, pairs of molecules are connected via π–π interactions between the phenyl ring and the triazolopyridazine moiety.
{"title":"6-Chloro-3-[4-(hexyloxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine","authors":"Jasmin Preis , Dieter Schollmeyer , Heiner Detert","doi":"10.1107/S2414314625005668","DOIUrl":"10.1107/S2414314625005668","url":null,"abstract":"<div><div>Molecules of the title compound, C<sub>17</sub>H<sub>19</sub>ClN<sub>4</sub>O, are essentially planar, the dihedral angles between the planes of the tetraazaindene ring system and the benzene ring and between the benzene ring and the hexyloxy chain being 1.56 (10)° and 5.02 (17)°, respectively. In the crystal, pairs of molecules are connected <em>via</em> π–π interactions between the phenyl ring and the triazolopyridazine moiety.</div></div><div><div>Molecules of the title compound, C<sub>17</sub>H<sub>19</sub>ClN<sub>4</sub>O, are essentially planar, the dihedral angles between the planes of the tetraazaindene ring system and the benzene ring and between the benzene ring and the hexyloxy chain being 1.56 (10)° and 5.02 (17)°, respectively. In the crystal, pairs of molecules are connected <em>via</em> π–π interactions between the phenyl ring and the triazolopyridazine moiety.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (190KB)</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 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144801540","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}
A chiral compound, m-TAP, was synthesized and its crystal structure was determined, revealing key stereochemical and supramolecular features.
The title compound, C19H24N2O2 (m-TAP), was synthesized via the reaction of 2-chloro-N-(m-tolyl)acetamide with pseudoephidrine. It crystallizes in the monoclinic crystal system with a non-centrosymmetric chiral space group P21 (No. 4). The asymmetric unit comprises a single molecule. The dihedral angle between the phenyl rings is 89.20 (10)°. m-TAP contains two chiral centers at the C7 and C8 positions, both with an absolute configuration of S.
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以2-氯- n -（间甲酰基）乙酰胺与伪麻黄碱为原料合成了标题化合物C19H24N2O2 （m-TAP）。它在单斜晶系中结晶，具有非中心对称的手性空间群P21 （No. 4）。不对称单元由单个分子组成。苯环之间的二面角为89.20（10）°。m-TAP在C7和C8位置有两个手性中心，绝对构型均为S。
{"title":"2-{[(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl](methyl)amino}-N-(3-methylphenyl)acetamide","authors":"Sarvinoz Bobonazarova , Batirbay Torambetov , Dilnoza Burieva , Anvar Abdushukurov , Shakhnoza Kadirova , Rasul Ya Okmanov , Mukhriddin Yusufov","doi":"10.1107/S2414314625005784","DOIUrl":"10.1107/S2414314625005784","url":null,"abstract":"<div><div>A chiral compound, <em>m</em>-TAP, was synthesized and its crystal structure was determined, revealing key stereochemical and supramolecular features.</div></div><div><div>The title compound, C<sub>19</sub>H<sub>24</sub>N<sub>2</sub>O<sub>2</sub> (<em>m</em>-TAP), was synthesized <em>via</em> the reaction of 2-chloro-<em>N</em>-(<em>m</em>-tolyl)acetamide with pseudoephidrine. It crystallizes in the monoclinic crystal system with a non-centrosymmetric chiral space group <em>P</em>2<sub>1</sub> (No. 4). The asymmetric unit comprises a single molecule. The dihedral angle between the phenyl rings is 89.20 (10)°. <em>m</em>-TAP contains two chiral centers at the C7 and C8 positions, both with an absolute configuration of <em>S</em>.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (296KB)</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 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144801537","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 : 2025-07-01DOI: 10.1107/S2414314625006327
Sizwe J. Zamisa , Adesola A. Adeleke , Dunesha Naicker , Holger B. Friedrich , Bernard Omondi
The solvated title compound has a cationic CoIII-aminodiphosphine and a dimeric CoII-diphenylphosphonate anionic species.
The DCM-Et2O solvated title compound, [CoCl2(C30H31NP2)2][Co2(C12H10O2P)3Cl2]·1.189CH2Cl2·0.811C4H10O or [CoCl2{Ph2PN(C6H11)PPh2}2][Co2{Ph2PO2}3Cl2]·1.189DCM·0.811Et2O, is a combination of a cationic CoIII-aminodiphosphine and a dimetallic CoII-diphenylphosphonate anionic species. The asymmetric unit features one half of the cationic and anionic species with solvent molecules in the outer coordination sphere. The metal centre of the cation is located on an inversion center, while the anion is disordered around an inversion center. The cyclohexanyl moiety of the aminodiphosphine ligand exhibits two-component rotational disorder along the N—C bond, the moiety’s major component occupancy refined to 71.1 (7)%. The dichloromethane and diethyl ether solvate molecules are disordered with each other and were modelled with 59.4 (3)% and 40.6 (3)% site occupancies in the asymmetric unit, respectively. Intermolecular C—H⋯π hydrogen-bonding patterns form infinite supramolecular sheets extending parallel to (110). C—H⋯Cl and C—H⋯O hydrogen bonds were also found in the crystal packing of the title compound.
{"title":"Bis[N,N-bis(diphenylphosphanyl)cyclohexanamine-κ2P,P′]dichloridocobalt(III) tris(μ-diphenylphosphinato-κ2O:O′)bis[chloridocobaltate(II)]–dichloromethane–diethyl ether (1/1.189/0.811)","authors":"Sizwe J. Zamisa , Adesola A. Adeleke , Dunesha Naicker , Holger B. Friedrich , Bernard Omondi","doi":"10.1107/S2414314625006327","DOIUrl":"10.1107/S2414314625006327","url":null,"abstract":"<div><div>The solvated title compound has a cationic Co<sup>III</sup>-aminodiphosphine and a dimeric Co<sup>II</sup>-diphenylphosphonate anionic species.</div></div><div><div>The DCM-Et<sub>2</sub>O solvated title compound, [CoCl<sub>2</sub>(C<sub>30</sub>H<sub>31</sub>NP<sub>2</sub>)<sub>2</sub>][Co<sub>2</sub>(C<sub>12</sub>H<sub>10</sub>O<sub>2</sub>P)<sub>3</sub>Cl<sub>2</sub>]·1.189CH<sub>2</sub>Cl<sub>2</sub>·0.811C<sub>4</sub>H<sub>10</sub>O or [CoCl<sub>2</sub>{Ph<sub>2</sub>PN(C<sub>6</sub>H<sub>11</sub>)PPh<sub>2</sub>}<sub>2</sub>][Co<sub>2</sub>{Ph<sub>2</sub>PO<sub>2</sub>}<sub>3</sub>Cl<sub>2</sub>]·1.189DCM·0.811Et<sub>2</sub>O, is a combination of a cationic Co<sup>III</sup>-aminodiphosphine and a dimetallic Co<sup>II</sup>-diphenylphosphonate anionic species. The asymmetric unit features one half of the cationic and anionic species with solvent molecules in the outer coordination sphere. The metal centre of the cation is located on an inversion center, while the anion is disordered around an inversion center. The cyclohexanyl moiety of the aminodiphosphine ligand exhibits two-component rotational disorder along the N—C bond, the moiety’s major component occupancy refined to 71.1 (7)%. The dichloromethane and diethyl ether solvate molecules are disordered with each other and were modelled with 59.4 (3)% and 40.6 (3)% site occupancies in the asymmetric unit, respectively. Intermolecular C—H⋯π hydrogen-bonding patterns form infinite supramolecular sheets extending parallel to (110). C—H⋯Cl and C—H⋯O hydrogen bonds were also found in the crystal packing of the title compound.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (353KB)</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 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144801541","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 : 2025-07-01DOI: 10.1107/S2414314625005759
Fanyi Meng , Shimin Zhou
A naphtho[1,8-de][1,3,2]-diazaborinine-substituted anthracene structure is reported.
In the title compound, C30H21BN2, the dihedral angle between the naphtho[1,8-de][1,3,2]diazaborinine moiety and the anthracene ring system is 79.30 (3)°. In the crystal, weak C—H⋯π interactions link the molecules into a three-dimensional network.
{"title":"2-(10-Phenylanthracen-9-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine","authors":"Fanyi Meng , Shimin Zhou","doi":"10.1107/S2414314625005759","DOIUrl":"10.1107/S2414314625005759","url":null,"abstract":"<div><div>A naphtho[1,8-<em>de</em>][1,3,2]-diazaborinine-substituted anthracene structure is reported.</div></div><div><div>In the title compound, C<sub>30</sub>H<sub>21</sub>BN<sub>2</sub>, the dihedral angle between the naphtho[1,8-<em>de</em>][1,3,2]diazaborinine moiety and the anthracene ring system is 79.30 (3)°. In the crystal, weak C—H⋯π interactions link the molecules into a three-dimensional network.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (244KB)</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 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144801535","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 : 2025-06-01DOI: 10.1107/S2414314625005243
Carolin A. M. Stein , Elisabetta Alberico , Anke Spannenberg , Matthias Beller , Henrik Junge
In the title complex, the RuII atom is coordinated by a 1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane ligand in κ3-coordination mode and an η4-coordinating trimethylenemethane ligand.
The title compound, [Ru(C47H51O6P3)(C4H6)]·0.5C4H10O, consists of an RuII atom coordinated by 1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane in κ3-coordination mode and an η4-coordinating trimethylenemethane ligand. The complex molecule is co-crystallized with a diethyl ether solvent molecule. A half diethyl ether molecule was considered, whereas additional disordered solvent molecules were removed from the diffraction data with the SQUEEZE procedure in PLATON [Spek (2015#). Acta Cryst. C71, 9–18].
{"title":"(η4-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","authors":"Carolin A. M. Stein , Elisabetta Alberico , Anke Spannenberg , Matthias Beller , Henrik Junge","doi":"10.1107/S2414314625005243","DOIUrl":"10.1107/S2414314625005243","url":null,"abstract":"<div><div>In the title complex, the Ru<sup>II</sup> atom is coordinated by a 1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane ligand in κ<sup>3</sup>-coordination mode and an η<sup>4</sup>-coordinating trimethylenemethane ligand.</div></div><div><div>The title compound, [Ru(C<sub>47</sub>H<sub>51</sub>O<sub>6</sub>P<sub>3</sub>)(C<sub>4</sub>H<sub>6</sub>)]·0.5C<sub>4</sub>H<sub>10</sub>O, consists of an Ru<sup>II</sup> atom coordinated by 1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane in κ<sup>3</sup>-coordination mode and an η<sup>4</sup>-coordinating trimethylenemethane ligand. The complex molecule is co-crystallized with a diethyl ether solvent molecule. A half diethyl ether molecule was considered, whereas additional disordered solvent molecules were removed from the diffraction data with the SQUEEZE procedure in <em>PLATON</em> [Spek (2015<span><span>#</span></span>). <em>Acta Cryst</em>. C<strong>71</strong>, 9–18].<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (267KB)</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 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144593348","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 : 2025-06-01DOI: 10.1107/S2414314625005449
Reham A. Mohamed-Ezzat , Galal H. Elgemeie , Peter G. Jones
The bond lengths in the C—S—C moiety are almost equal, with a shorter formally double C—S bond. The packing involves ‘weak’ hydrogen bonds; the three shortest contacts combine to form layers parallel to the ab plane.
In the structure of the title compound, C17H25NO9S2, the bond lengths in the C—S—C moiety are almost equal at 1.7959 (8) and 1.7877 (9) Å, with a shorter formally double C—S bond of 1.6698 (9) Å at the other sulfur atom. The eight-atom sequence O3—C3—C2—C1—S—C—N—C (using standard sugar numbering) shows an extended conformation. The packing involves ‘weak’ hydrogen bonds, whereby the three shortest C—H⋯O contacts combine to form layers of molecules parallel to the ab plane.
{"title":"2,3,4,6-Tetra-O-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-d-galactopyranose","authors":"Reham A. Mohamed-Ezzat , Galal H. Elgemeie , Peter G. Jones","doi":"10.1107/S2414314625005449","DOIUrl":"10.1107/S2414314625005449","url":null,"abstract":"<div><div>The bond lengths in the C—S—C moiety are almost equal, with a shorter formally double C—S bond. The packing involves ‘weak’ hydrogen bonds; the three shortest contacts combine to form layers parallel to the <em>ab</em> plane.</div></div><div><div>In the structure of the title compound, C<sub>17</sub>H<sub>25</sub>NO<sub>9</sub>S<sub>2</sub>, the bond lengths in the C—S—C moiety are almost equal at 1.7959 (8) and 1.7877 (9) Å, with a shorter formally double C—S bond of 1.6698 (9) Å at the other sulfur atom. The eight-atom sequence O3—C3—C2—C1—S—C—N—C (using standard sugar numbering) shows an extended conformation. The packing involves ‘weak’ hydrogen bonds, whereby the three shortest C—H⋯O contacts combine to form layers of molecules parallel to the <em>ab</em> plane.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (257KB)</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 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144593353","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 : 2025-06-01DOI: 10.1107/S2414314625005735
Heiner Detert , Dieter Schollmeyer
The crystal structure of a tetrahalogenated bicyclononane, C9H12Br2Cl2, is reported. The molecule adopts a distorted twist-chair conformation. The cyclopropane ring is almost parallel to the plane formed by the four methylene carbon atoms.
The crystal structure of the title tetrahalogenated bicyclononane, C9H12Br2Cl2, is reported. The molecule adopts a distorted twist-chair conformation. The cyclopropane ring is almost parallel to the plane formed by the four methylene carbon atoms.
{"title":"rac-4,5-trans-Dibromo-9,9-dichloro-cis-bicyclo[6.1.0]nonane","authors":"Heiner Detert , Dieter Schollmeyer","doi":"10.1107/S2414314625005735","DOIUrl":"10.1107/S2414314625005735","url":null,"abstract":"<div><div>The crystal structure of a tetrahalogenated bicyclononane, C<sub>9</sub>H<sub>12</sub>Br<sub>2</sub>Cl<sub>2</sub>, is reported. The molecule adopts a distorted twist-chair conformation. The cyclopropane ring is almost parallel to the plane formed by the four methylene carbon atoms.</div></div><div><div>The crystal structure of the title tetrahalogenated bicyclononane, C<sub>9</sub>H<sub>12</sub>Br<sub>2</sub>Cl<sub>2</sub>, is reported. The molecule adopts a distorted twist-chair conformation. The cyclopropane ring is almost parallel to the plane formed by the four methylene carbon atoms.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (226KB)</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 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144593351","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 : 2025-06-01DOI: 10.1107/S241431462500553X
Firudin I. Guseinov , Aida I. Samigullina , Tuncer Hökelek , Sahil Z. Hamidov , Jamal Lasri , Khudayar I. Hasanov , Narmina A. Guliyeva , Alebel N. Belay
In the title compound, C—H⋯O and C—H⋯F hydrogen bonds link the molecules into a three-dimensional network.
In the title compound, C14H9FN2O, the dihedral angle between the imidazo–pyridine fused ring system and the pendant fluorophenyl ring is 53.77 (4)°. In the crystal, C—H⋯O and C—H⋯F hydrogen bonds link the molecules into a three-dimensional network. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (30.4%), H⋯C/C⋯H (23.7%), H⋯O/O⋯H (12.2%) and H⋯F/F⋯H (11.1%) interactions.
{"title":"3-(4-Fluorophenyl)imidazo[1,2-a]pyridine-2-carbaldehyde","authors":"Firudin I. Guseinov , Aida I. Samigullina , Tuncer Hökelek , Sahil Z. Hamidov , Jamal Lasri , Khudayar I. Hasanov , Narmina A. Guliyeva , Alebel N. Belay","doi":"10.1107/S241431462500553X","DOIUrl":"10.1107/S241431462500553X","url":null,"abstract":"<div><div>In the title compound, C—H⋯O and C—H⋯F hydrogen bonds link the molecules into a three-dimensional network.</div></div><div><div>In the title compound, C<sub>14</sub>H<sub>9</sub>FN<sub>2</sub>O, the dihedral angle between the imidazo–pyridine fused ring system and the pendant fluorophenyl ring is 53.77 (4)°. In the crystal, C—H⋯O and C—H⋯F hydrogen bonds link the molecules into a three-dimensional network. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (30.4%), H⋯C/C⋯H (23.7%), H⋯O/O⋯H (12.2%) and H⋯F/F⋯H (11.1%) interactions.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (211KB)</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 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144593355","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 : 2025-06-01DOI: 10.1107/S2414314625005036
Said Abdelghafour Messalti , Fatima Setifi , Uwe Böhme , Zouaoui Setifi , Mohammad Hadi Al-Douh
The asymmetric unit of the title compound, [Fe(C10H8N2)3][C{C(CN)2}3], contains an iron–bipyridyl unit and one third of two crystallographic independent tris(dicyanomethylidene)methanediide units. In the crystal, hydrogen bonds between cations and anions form complex layers parallel to (001). These are supplemented by hydrogen bonds perpendicular to the former, leading to a three-dimensional network.
The asymmetric unit of the title compound, [Fe(C10H8N2)3][C{C(CN)2}3], contains an iron–bipyridyl unit and one third of two crystallographic independent tris(dicyanomethylidene)methanediide units. As a result of crystallographic site symmetry the ratio of cations to anions is 1:1. The tris(2,2′-bipyridine)iron(II) cation has threefold symmetry. The two crystallographic independent tris(dicyanomethylidene)methanediide ions are disordered over two atomic sites having equal occupancy. The anions have 3 symmetry. In the crystal, hydrogen bonds between cations and anions form complex layers parallel to (001). These are supplemented by hydrogen bonds perpendicular to the former, leading to a three-dimensional network.
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