Pub Date : 2025-08-01DOI: 10.1107/S2414314625007047
Sizwe J. Zamisa , Adesola A. Adeleke , Bernard Omondi
The title compound forms a crystal structure with near-coplanar heteroaryl units and perpendicular aromatic rings, assembling into a corrugated two-dimensional network along the crystallographic ac plane that is consolidated into a three-dimensional supramolecular architecture via hydrogen bonding.
The asymmetric unit of the title compound, C29H22F2N4O, consists of one molecule in which the pyrimidinyl and anilinyl units exhibit near coplanarity, subtending a dihedral angle of 10.22 (7)°. In contrast, the dihydropyridine and phenyl rings are nearly perpendicular, making angles of 88.66 (7) and 89.14 (7)°. The crystal packing features alternating C—H⋯π and C—F⋯π interactions that generate a corrugated two-dimensional supramolecular network in the crystallographic ac plane. This structure is further consolidated into a three-dimensional architecture by C—H⋯F hydrogen bonding.
{"title":"10-(4-Fluorophenyl)-4-[(4-fluorophenyl)amino]-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","authors":"Sizwe J. Zamisa , Adesola A. Adeleke , Bernard Omondi","doi":"10.1107/S2414314625007047","DOIUrl":"10.1107/S2414314625007047","url":null,"abstract":"<div><div>The title compound forms a crystal structure with near-coplanar heteroaryl units and perpendicular aromatic rings, assembling into a corrugated two-dimensional network along the crystallographic <em>ac</em> plane that is consolidated into a three-dimensional supramolecular architecture <em>via</em> hydrogen bonding.</div></div><div><div>The asymmetric unit of the title compound, C<sub>29</sub>H<sub>22</sub>F<sub>2</sub>N<sub>4</sub>O, consists of one molecule in which the pyrimidinyl and anilinyl units exhibit near coplanarity, subtending a dihedral angle of 10.22 (7)°. In contrast, the dihydropyridine and phenyl rings are nearly perpendicular, making angles of 88.66 (7) and 89.14 (7)°. The crystal packing features alternating C—H⋯π and C—F⋯π interactions that generate a corrugated two-dimensional supramolecular network in the crystallographic <em>ac</em> plane. This structure is further consolidated into a three-dimensional architecture by C—H⋯F hydrogen bonding.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (250KB)</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 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017059","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 : 2025-08-01DOI: 10.1107/S2414314625006959
Rao M. Uppu , Frank R. Fronczek
In the title compound, the acetamide substituent is twisted out of the phenyl plane, forming a dihedral angle of 58.61 (7)°. In the extended structure, each molecule donates two hydrogen bonds [N—H⋯O(carbonyl) and O—H⋯O(carbonyl)] and thus also accepts two such hydrogen bonds. The chlorine atom is not involved in the hydrogen bonding.
In the title compound, C8H8ClNO2, the acetamide substituent is twisted out of the phenyl plane, forming a dihedral angle of 58.61 (7)°. In the extended structure, each molecule donates two hydrogen bonds [N—H⋯O(carbonyl) and O—H⋯O(carbonyl)] and thus also accepts two such hydrogen bonds. The chlorine atom is not involved in the hydrogen bonding.
{"title":"N-(3-Chloro-4-hydroxyphenyl)acetamide","authors":"Rao M. Uppu , Frank R. Fronczek","doi":"10.1107/S2414314625006959","DOIUrl":"10.1107/S2414314625006959","url":null,"abstract":"<div><div>In the title compound, the acetamide substituent is twisted out of the phenyl plane, forming a dihedral angle of 58.61 (7)°. In the extended structure, each molecule donates two hydrogen bonds [N—H⋯O(carbonyl) and O—H⋯O(carbonyl)] and thus also accepts two such hydrogen bonds. The chlorine atom is not involved in the hydrogen bonding.</div></div><div><div>In the title compound, C<sub>8</sub>H<sub>8</sub>ClNO<sub>2</sub>, the acetamide substituent is twisted out of the phenyl plane, forming a dihedral angle of 58.61 (7)°. In the extended structure, each molecule donates two hydrogen bonds [N—H⋯O(carbonyl) and O—H⋯O(carbonyl)] and thus also accepts two such hydrogen bonds. The chlorine atom is not involved in the hydrogen bonding.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (223KB)</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 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017104","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/S241431462500598X
Daniel R. Albert , Michael Gau , Edward Rajaseelan
The title RhIII complex is a rare example of a mononuclear compound gathering nitrito, nitro and nitrosyl ligands.
The structure of the title compound, [Rh(NO)(NO2)2(C18H15P)2] or [Rh(NO)(NO2)(ONO)(PPh3)2], has been determined by single-crystal X-ray diffraction. A previous report of the title compound showed it crystallized in a monoclinic space group [Rajaseelan et al. (1999#). J. PA. Acad. Sci.73, 63–66; refcode SASTOW in the CSD]. However, it was unable to be refined because of severe disorder. In this study, two distinct crystals of the title compound were found showing the compound to be polymorphic. One of the crystals was unable to be resolved but was found to be in a monoclinic space group, as in the previously reported study. The other crystal was able to be refined and crystallizes in the triclinic space group P1. The refined structure consists of two discrete monomeric molecules per unit cell. The molecular geometry around rhodium is that of a distorted square pyramid, with nitrogen of the nitro ligand, oxygen of the nitrito ligand and phosphorus atoms of the phosphane ligands lying in the basal plane and the nitrogen atom of the bent nitrosyl occupying the apical position. The nitrosyl ligand exhibits positional disorder whereas the nitro and nitrito ligands show disorder across coordination sites with the disorder modelled in a 0.91:0.09 ratio. Both intramolecular C—H ⋯O (nitro and nitrito) and intermolecular C—H ⋯N (nitrito) interactions are observed. There are no hydrogen-bonding interactions with the N or O atoms of the nitrosyl ligand.
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用单晶x射线衍射测定了标题化合物[Rh(NO)(NO2)2(C18H15P)2]或[Rh(NO)(NO2)(ONO)(PPh3)2]的结构。标题化合物的先前报道表明它在单斜空间群中结晶[Rajaseelan et al.（1999▸）]。j . PA。自然科学学报，23 (2)；在CSD中重新编码SASTOW]。然而，由于严重的混乱，它无法被提炼。在这项研究中，标题化合物的两个不同的晶体被发现，表明该化合物是多态的。其中一个晶体无法被分解，但被发现在单斜空间群中，就像之前报道的研究一样。另一个晶体能够被细化并在三斜空间群P1中结晶。精细化的结构由每个细胞两个离散的单体分子组成。铑周围的分子几何形状是一个扭曲的方形金字塔，其中硝基配体的氮原子、亚硝基配体的氧原子和磷化配体的磷原子位于基面上，弯曲的亚硝基的氮原子位于顶端位置。亚硝基配体表现出位置无序性，而硝基配体和亚硝基配体在配位位点上表现出无序性，无序性的模型比例为0.91:0.09。观察到分子内C-H⋯O（硝基和亚硝基）和分子间C-H⋯N（亚硝基）相互作用。与亚硝基配体的N或O原子没有氢键相互作用。
{"title":"(Nitrito-κO)(nitro-κN)(nitrosyl-κN)bis(triphenylphosphane-κP)rhodium(III)","authors":"Daniel R. Albert , Michael Gau , Edward Rajaseelan","doi":"10.1107/S241431462500598X","DOIUrl":"10.1107/S241431462500598X","url":null,"abstract":"<div><div>The title Rh<sup>III</sup> complex is a rare example of a mononuclear compound gathering nitrito, nitro and nitrosyl ligands.</div></div><div><div>The structure of the title compound, [Rh(NO)(NO<sub>2</sub>)<sub>2</sub>(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>] or [Rh(NO)(NO<sub>2</sub>)(ONO)(PPh<sub>3</sub>)<sub>2</sub>], has been determined by single-crystal X-ray diffraction. A previous report of the title compound showed it crystallized in a monoclinic space group [Rajaseelan <em>et al.</em> (1999<span><span>#</span></span>). <em>J. PA. Acad. Sci.</em><strong>73</strong>, 63–66; refcode SASTOW in the CSD]. However, it was unable to be refined because of severe disorder. In this study, two distinct crystals of the title compound were found showing the compound to be polymorphic. One of the crystals was unable to be resolved but was found to be in a monoclinic space group, as in the previously reported study. The other crystal was able to be refined and crystallizes in the triclinic space group <em>P</em>1. The refined structure consists of two discrete monomeric molecules per unit cell. The molecular geometry around rhodium is that of a distorted square pyramid, with nitrogen of the nitro ligand, oxygen of the nitrito ligand and phosphorus atoms of the phosphane ligands lying in the basal plane and the nitrogen atom of the bent nitrosyl occupying the apical position. The nitrosyl ligand exhibits positional disorder whereas the nitro and nitrito ligands show disorder across coordination sites with the disorder modelled in a 0.91:0.09 ratio. Both intramolecular C—H ⋯O (nitro and nitrito) and intermolecular C—H ⋯N (nitrito) interactions are observed. There are no hydrogen-bonding interactions with the N or O atoms of the nitrosyl ligand.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (325KB)</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":"144801532","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/S2414314625005991
Mohammad H. Ati , Basil A. Saleh , Adnan J. M. Al-Fartosy , Gamal A. El-Hiti , Benson M. Kariuki
Intramolecular O1—H1⋯N3 hydrogen bonding occurs in the title molecule and intermolecular O—H⋯O hydrogen bonds form chains parallel to the b axis.
In the title compound, C22H21N3O2, an intramolecular O—H⋯N hydrogen bond is observed between the phenol and methanimine groups of the molecule. The 2-phenylethan-1-ol part is disordered over two orientations [occupancies 0.566 (17) and 0.434 (17)]. In the crystal, disordered intermolecular O—H⋯O hydrogen bonds between adjacent molecules form chains parallel to the b axis.
{"title":"2-{(E)-[(2-Hydroxy-1-phenylethyl)imino]methyl}-4-[(E)-(4-methylphenyl)diazenyl]phenol","authors":"Mohammad H. Ati , Basil A. Saleh , Adnan J. M. Al-Fartosy , Gamal A. El-Hiti , Benson M. Kariuki","doi":"10.1107/S2414314625005991","DOIUrl":"10.1107/S2414314625005991","url":null,"abstract":"<div><div>Intramolecular O1—H1⋯N3 hydrogen bonding occurs in the title molecule and intermolecular O—H⋯O hydrogen bonds form chains parallel to the <em>b</em> axis.</div></div><div><div>In the title compound, C<sub>22</sub>H<sub>21</sub>N<sub>3</sub>O<sub>2</sub>, an intramolecular O—H⋯N hydrogen bond is observed between the phenol and methanimine groups of the molecule. The 2-phenylethan-1-ol part is disordered over two orientations [occupancies 0.566 (17) and 0.434 (17)]. In the crystal, disordered intermolecular O—H⋯O hydrogen bonds between adjacent molecules form chains parallel to the <em>b</em> axis.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (225KB)</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":"144801536","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/S2414314625006200
Marcel Sonneck , Anke Spannenberg , Sebastian Wohlrab , Tim Peppel
The title compound consists of almost planar molecules with the chlorine atom protruding from this plane.
The title compound, C9H8BrClO, crystallizes in the monoclinic space group P21/n with four molecules in the unit cell. The molecular structure consists of almost planar molecules with the chlorine atom protruding from this plane.
{"title":"1-(4-Bromophenyl)-3-chloropropan-1-one","authors":"Marcel Sonneck , Anke Spannenberg , Sebastian Wohlrab , Tim Peppel","doi":"10.1107/S2414314625006200","DOIUrl":"10.1107/S2414314625006200","url":null,"abstract":"<div><div>The title compound consists of almost planar molecules with the chlorine atom protruding from this plane.</div></div><div><div>The title compound, C<sub>9</sub>H<sub>8</sub>BrClO, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>n</em> with four molecules in the unit cell. The molecular structure consists of almost planar molecules with the chlorine atom protruding from this plane.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (180KB)</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":"144801534","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/S2414314625006388
Xiao-Yu Li , Ye Zhou , Hong-Can Wang , Meng Ji , Guo-Ao Li , Ai-Xin Zhu
The Cu2+ cation in the polymeric title compound has an N2O3 coordination set, intermediate between a square pyramid and a trigonal bipyramid.
In the title compound, {[Cu(C9H6N3O2)(OH)(H2O)]·H2O]}n, the Cu2+ cation is situated on a twofold rotation axis and is coordinated by two triazole N atoms from two different 3-(4H-1,2,4-triazol-4-yl)benzoate (3-tba) ligands, by two hydroxyl O atoms and by a water O atom, forming a coordination environment intermediate between a square pyramid and a trigonal bipyramid. The Cu2+ ions are connected by 3-tba ligand and a hydroxy group into polymeric chains parallel to [001]. O—H⋯O hydrogen bonds and C—H⋯O interactions consolidate the crystal structure.
{"title":"catena-Poly[[[aquacopper(II)]-μ-hydroxido-κ2O:O-μ-[3-(4H-1,2,4-triazol-4-yl)benzoato]-κ2N1:N2] monohydrate]","authors":"Xiao-Yu Li , Ye Zhou , Hong-Can Wang , Meng Ji , Guo-Ao Li , Ai-Xin Zhu","doi":"10.1107/S2414314625006388","DOIUrl":"10.1107/S2414314625006388","url":null,"abstract":"<div><div>The Cu<sup>2+</sup> cation in the polymeric title compound has an N<sub>2</sub>O<sub>3</sub> coordination set, intermediate between a square pyramid and a trigonal bipyramid.</div></div><div><div>In the title compound, {[Cu(C<sub>9</sub>H<sub>6</sub>N<sub>3</sub>O<sub>2</sub>)(OH)(H<sub>2</sub>O)]·H<sub>2</sub>O]}<sub><em>n</em></sub>, the Cu<sup>2+</sup> cation is situated on a twofold rotation axis and is coordinated by two triazole N atoms from two different 3-(4<em>H</em>-1,2,4-triazol-4-yl)benzoate (3-tba) ligands, by two hydroxyl O atoms and by a water O atom, forming a coordination environment intermediate between a square pyramid and a trigonal bipyramid. The Cu<sup>2+</sup> ions are connected by 3-tba ligand and a hydroxy group into polymeric chains parallel to [001]. O—H⋯O hydrogen bonds and C—H⋯O interactions consolidate the crystal structure.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (225KB)</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":"144801533","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/S2414314625005966
Amina Kemmouche , Rochdi Ghallab , Hocine Merazig
The F atoms in the octahedral [SnF2Cl4]2– complex anion of the title compound are in a cis orientation.
In the title hydrated salt, (C10H10N2)[SnF2Cl4]·H2O, the dihedral angle between the pyridinium rings in the cation is 40.5 (4)° and the F atoms in the octahedral complex anion have a cis disposition [F—Sn—F = 85.32 (17)°]. In the extended structure, alternating cationic and anionic layers occur, linked by extensive hydrogen bonding, with water molecules inserted between the layers.
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在标题水合盐（C10H10N2）[SnF2Cl4]·H2O中，正离子中的吡啶环之间的二面角为40.5(4)°，而阴离子中的八面体配合物F原子呈顺式排列[F- sn -F = 85.32（17）°]。在扩展结构中，交替出现阳离子和阴离子层，通过广泛的氢键连接，水分子插入层之间。
{"title":"4,4′-Bipyridine-1,1′-diium tetrachloridodifluoridostannate(IV) monohydrate","authors":"Amina Kemmouche , Rochdi Ghallab , Hocine Merazig","doi":"10.1107/S2414314625005966","DOIUrl":"10.1107/S2414314625005966","url":null,"abstract":"<div><div>The F atoms in the octahedral [SnF<sub>2</sub>Cl<sub>4</sub>]<sup>2–</sup> complex anion of the title compound are in a <em>cis</em> orientation.</div></div><div><div>In the title hydrated salt, (C<sub>10</sub>H<sub>10</sub>N<sub>2</sub>)[SnF<sub>2</sub>Cl<sub>4</sub>]·H<sub>2</sub>O, the dihedral angle between the pyridinium rings in the cation is 40.5 (4)° and the F atoms in the octahedral complex anion have a <em>cis</em> disposition [F—Sn—F = 85.32 (17)°]. In the extended structure, alternating cationic and anionic layers occur, linked by extensive hydrogen bonding, with water molecules inserted between the layers.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (204KB)</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":"144801538","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/S2414314625005917
Veronica Zampieri , Annelise Vermot , Michel Thepaut , Isabelle Petit-Hartlein , Franck Fieschi , Pierre Falson , Vincent Chaptal
Diffraction datasets of membrane protein crystals were used to assess the diffraction anisotropy phenomenon.
利用膜蛋白晶体的衍射数据来评价其衍射各向异性现象。
{"title":"X-ray diffraction images for two membrane protein crystals presenting high anisotropy; the B. subtilis ABC transporter BmrA and the S. pneumoniae NADPH oxidase","authors":"Veronica Zampieri , Annelise Vermot , Michel Thepaut , Isabelle Petit-Hartlein , Franck Fieschi , Pierre Falson , Vincent Chaptal","doi":"10.1107/S2414314625005917","DOIUrl":"10.1107/S2414314625005917","url":null,"abstract":"<div><div>Diffraction datasets of membrane protein crystals were used to assess the diffraction anisotropy phenomenon.</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":"144801543","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/S2414314625006571
B. Punithavalli , A. Therasa Alphonsa
The title compound was obtained in good yield by a standard one-pot method. The molecule has the following substituents: a chlorine atom at the 4-position, a phenyl group at the 2-position, and an aldehyde (–CHO) group at the 3-position of the 2H-chromene ring system.
The title compound, 4-chloro-2-phenyl-2H-chromene-3-carbaldehyde (PCC), C16H11ClO2, was obtained in good yield by a standard one-pot method. The molecule has the following substituents: a chlorine atom at the 4-position, a phenyl group at the 2-position, and an aldehyde (–CHO) group at the 3-position of the 2H-chromene ring system.
{"title":"4-Chloro-2-phenyl-2H-chromene-3-carbaldehyde","authors":"B. Punithavalli , A. Therasa Alphonsa","doi":"10.1107/S2414314625006571","DOIUrl":"10.1107/S2414314625006571","url":null,"abstract":"<div><div>The title compound was obtained in good yield by a standard one-pot method. The molecule has the following substituents: a chlorine atom at the 4-position, a phenyl group at the 2-position, and an aldehyde (–CHO) group at the 3-position of the 2<em>H</em>-chromene ring system.</div></div><div><div>The title compound, 4-chloro-2-phenyl-2<em>H</em>-chromene-3-carbaldehyde (PCC), C<sub>16</sub>H<sub>11</sub>ClO<sub>2</sub>, was obtained in good yield by a standard one-pot method. The molecule has the following substituents: a chlorine atom at the 4-position, a phenyl group at the 2-position, and an aldehyde (–CHO) group at the 3-position of the 2<em>H</em>-chromene ring system.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (287KB)</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":"144801539","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 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}
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