Pub Date : 2024-09-01DOI: 10.1107/S2414314624008496
Fatima Setifi , Zouaoui Setifi , David K. Geiger , Mohammed Hadi Al-Douh , Abderezak Addala
[Co(C9H8N2)(N3)2]n exhibits a distorted octahedral coordination geometry. Bridging azide ligands result in chains along [100].
The title coordination polymer, [Co(N3)2(C9H8N2)]n, was synthesized solvothermally. The CoII atom exhibits a distorted octahedral [CoN6] coordination geometry with a bidentate 8-aminoquinoline ligand and four azide ligands. Bridging azide ligands result in chains extending along [100]. N—H⋯N hydrogen bonds join the chains to give an extended structure with sheets parallel to (002).
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标题配位聚合物 [Co(N3)2(C9H8N2)] n 是通过溶解热合成的。CoII 原子与一个双阳8-氨基喹啉配体和四个叠氮配体呈扭曲的八面体[CoN6]配位几何结构。桥接的叠氮配体导致链沿着 [100] 延伸。N-H⋯N 氢键将这些链连接起来，形成与 (002) 平行的片状延伸结构。
{"title":"catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]","authors":"Fatima Setifi , Zouaoui Setifi , David K. Geiger , Mohammed Hadi Al-Douh , Abderezak Addala","doi":"10.1107/S2414314624008496","DOIUrl":"10.1107/S2414314624008496","url":null,"abstract":"<div><div>[Co(C<sub>9</sub>H<sub>8</sub>N<sub>2</sub>)(N<sub>3</sub>)<sub>2</sub>]<sub>n</sub> exhibits a distorted octahedral coordination geometry. Bridging azide ligands result in chains along [100].</div></div><div><div>The title coordination polymer, [Co(N<sub>3</sub>)<sub>2</sub>(C<sub>9</sub>H<sub>8</sub>N<sub>2</sub>)]<sub>n</sub>, was synthesized solvothermally. The Co<sup>II</sup> atom exhibits a distorted octahedral [CoN<sub>6</sub>] coordination geometry with a bidentate 8-aminoquinoline ligand and four azide ligands. Bridging azide ligands result in chains extending along [100]. N—H⋯N hydrogen bonds join the chains to give an extended structure with sheets parallel to (002).<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></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451032/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01DOI: 10.1107/S2414314624008939
Monsuru T. Kelani , Alfred Muller , Koop Lammertsma
The title compound is an example for a chiral-at-metal complex, with the RuIII atom having an octahedral coordination environment by three bidentate ligands.
The title compound, [Ru(C12H14NO2)2(C12H8N2)]PF6 crystallizes in the tetragonal Sohnke space group P41212. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central RuIII atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octahedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is −0.003 (14)]. Both the complex cation and the disordered PF6− counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C—H⋯O and C—H⋯F interactions.
{"title":"Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2N,O1](1,10-phenanthroline-κ2N,N′)ruthenium(III) hexafluoridophosphate","authors":"Monsuru T. Kelani , Alfred Muller , Koop Lammertsma","doi":"10.1107/S2414314624008939","DOIUrl":"10.1107/S2414314624008939","url":null,"abstract":"<div><div>The title compound is an example for a chiral-at-metal complex, with the Ru<sup>III</sup> atom having an octahedral coordination environment by three bidentate ligands.</div></div><div><div>The title compound, [Ru(C<sub>12</sub>H<sub>14</sub>NO<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)]PF<sub>6</sub> crystallizes in the tetragonal Sohnke space group <em>P</em>4<sub>1</sub>2<sub>1</sub>2. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central Ru<sup>III</sup> atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octahedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is −0.003 (14)]. Both the complex cation and the disordered PF<sub>6</sub><sup>−</sup> counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C—H⋯O and C—H⋯F interactions.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (545KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451036/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01DOI: 10.1107/S2414314624009416
Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan
A new triazole-based N-heterocyclic carbene cationic iridium(I) complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C8H12)(C18H15P)(C8H15N3)][BF4]·0.5CH2Cl2, has been structurally characterized.
A new triazole-based N-heterocyclic carbene IrI cationic complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C8H12)(C8H15N3)(C18H15P)]BF4·0.5CH2Cl2, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one dichloromethane solvent molecule per two ion pairs. The cationic complex exhibits a distorted square-planar conformation around the IrI atom, formed by a bidentate cycloocta-1,5,diene (COD) ligand, a triphenylphosphane ligand, and an N-heterocyclic carbene (NHC). There are several close non-standard H⋯F hydrogen-bonding interactions that orient the tetrafluoridoborate anions with respect to the IrI complex molecules. The complex shows promising catalytic activity in transfer hydrogenation reactions. The structure was refined as a non-merohedral twin, and one of the COD molecules is statistically disordered.
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我们合成了一种新的三唑基 N-杂环碳烯 IrI 阳离子络合物，它具有一个四氟硼酸阳离子和半溶解的二氯甲烷，即 [Ir(C8H12)(C8H15N3)(C18H15P)]BF4-0.5CH2Cl2 ，并对其进行了结构表征。不对称单元中有两个独立的离子对，每两个离子对有一个二氯甲烷溶剂分子。阳离子配合物在 IrI 原子周围呈现扭曲的方平面构象，由一个双叉环辛烷-1,5,二烯（COD）配体、一个三苯基膦烷配体和一个 N-杂环碳烯（NHC）形成。四氟硼酸阴离子与 IrI 复合物分子结构之间存在若干紧密的非标准 H⋯F 氢键相互作用。该复合物在转移加氢反应中显示出良好的催化活性。该复合物的结构被细化为一个非斜面孪晶，其中一个 COD 晶胞在统计上是无序的。
{"title":"[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","authors":"Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan","doi":"10.1107/S2414314624009416","DOIUrl":"10.1107/S2414314624009416","url":null,"abstract":"<div><div>A new triazole-based <em>N</em>-heterocyclic carbene cationic iridium(I) complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C<sub>8</sub>H<sub>12</sub>)(C<sub>18</sub>H<sub>15</sub>P)(C<sub>8</sub>H<sub>15</sub>N<sub>3</sub>)][BF<sub>4</sub>]·0.5CH<sub>2</sub>Cl<sub>2</sub>, has been structurally characterized.</div></div><div><div>A new triazole-based <em>N</em>-heterocyclic carbene Ir<sup>I</sup> cationic complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C<sub>8</sub>H<sub>12</sub>)(C<sub>8</sub>H<sub>15</sub>N<sub>3</sub>)(C<sub>18</sub>H<sub>15</sub>P)]BF<sub>4</sub>·0.5CH<sub>2</sub>Cl<sub>2</sub>, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one dichloromethane solvent molecule per two ion pairs. The cationic complex exhibits a distorted square-planar conformation around the Ir<sup>I</sup> atom, formed by a bidentate cycloocta-1,5,diene (COD) ligand, a triphenylphosphane ligand, and an <em>N</em>-heterocyclic carbene (NHC). There are several close non-standard H⋯F hydrogen-bonding interactions that orient the tetrafluoridoborate anions with respect to the Ir<sup>I</sup> complex molecules. The complex shows promising catalytic activity in transfer hydrogenation reactions. The structure was refined as a non-merohedral twin, and one of the COD molecules is statistically disordered.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (301KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451034/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01DOI: 10.1107/S2414314624008599
Silas Martin , William W. Brennessel , Ammar Hasan , Carly R. Reed
The title iridium complex is the first X-ray characterized compound including both 1-phenylisoquinoline and 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline ligands.
The title compound, [Ir(C15H10N)2(C19H12N4)]PF6·CH3OH, crystallizes in the C2/c space group with one monocationic iridium complex, one hexafluoridophosphate anion, and one methanol solvent molecule of crystallization in the asymmetric unit, all in general positions. The anion and solvent are linked to the iridium complex cation via hydrogen bonding. All bond lengths and angles fall into expected ranges compared to similar compounds.
{"title":"Bis[2-(isoquinolin-1-yl)phenyl-κ2N,C1](2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline-κ2N,N′)iridium(III) hexafluoridophosphate methanol monosolvate","authors":"Silas Martin , William W. Brennessel , Ammar Hasan , Carly R. Reed","doi":"10.1107/S2414314624008599","DOIUrl":"10.1107/S2414314624008599","url":null,"abstract":"<div><div>The title iridium complex is the first X-ray characterized compound including both 1-phenylisoquinoline and 2-phenyl-1<em>H</em>-imidazo[4,5-<em>f</em>][1,10]phenanthroline ligands.</div></div><div><div>The title compound, [Ir(C<sub>15</sub>H<sub>10</sub>N)<sub>2</sub>(C<sub>19</sub>H<sub>12</sub>N<sub>4</sub>)]PF<sub>6</sub>·CH<sub>3</sub>OH, crystallizes in the <em>C</em>2/<em>c</em> space group with one monocationic iridium complex, one hexafluoridophosphate anion, and one methanol solvent molecule of crystallization in the asymmetric unit, all in general positions. The anion and solvent are linked to the iridium complex cation <em>via</em> hydrogen bonding. All bond lengths and angles fall into expected ranges compared to similar compounds.<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></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451029/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01DOI: 10.1107/S2414314624008630
Anke Schwarzer , Manuel Stapf
The title compound, C2H4BrNO, crystallizes in the monoclinic space group P21/c with one molecule in the asymmetric unit.
The title compound, C2H4BrNO, crystallizes in the monoclinic space group P21/c with one molecule in the asymmetric unit. The almost planar molecules are organized via N—H⋯O hydrogen bonds into a ladder-type network, which can be characterized by the graph sets R22(8) and R24(8). In addition, the molecules are connected by C—H⋯O and C—H⋯Br contacts.
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标题化合物 C2H4BrNO 在单斜空间群 P21/c 中结晶，在不对称单元中有一个分子微粒。几乎是平面的分子微粒通过 N-H⋯O 氢键组织成阶梯状网络，可通过图集 R 2 2(8) 和 R 2 4(8) 加以描述。此外，分子微粒还通过 C-H⋯O 和 C-H⋯Br 触点连接起来。
{"title":"2-Bromoacetamide","authors":"Anke Schwarzer , Manuel Stapf","doi":"10.1107/S2414314624008630","DOIUrl":"10.1107/S2414314624008630","url":null,"abstract":"<div><div>The title compound, C<sub>2</sub>H<sub>4</sub>BrNO, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em> with one molecule in the asymmetric unit.</div></div><div><div>The title compound, C<sub>2</sub>H<sub>4</sub>BrNO, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em> with one molecule in the asymmetric unit. The almost planar molecules are organized <em>via</em> N—H⋯O hydrogen bonds into a ladder-type network, which can be characterized by the graph sets <em>R</em><sup>2</sup><sub>2</sub>(8) and <em>R</em><sup>2</sup><sub>4</sub>(8). In addition, the molecules are connected by C—H⋯O and C—H⋯Br contacts.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (210KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451030/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01DOI: 10.1107/S2414314624008617
Kotiba Malek , Kuppuswamy Arumugam
The solid-state structural analysis of the title compound reveals that the two molecules of bis(1-benzyl-3-mesitylimidazol-2-ylidene)silver are connected via a bridging chloride atom. The structure also reveals non-classical intermolecular hydrogen-bonding interactions involving the chloride counter-anion.
The title compound, [Ag2(C19H20N2)4]Cl·0.5C2H4Cl2, can be readily generated by treatment of (1-benzyl-3-(2,4,6-trimethylphenyl)imidazolium chloride with sodium bis(trimethylsilyl)amide followed by silver chloride. The molecular structure of the compound was confirmed using NMR spectroscopy and single-crystal X-ray diffraction analysis. The crystal structure of the title compound at 110 K has monoclinic (P21/c) symmetry. The represented silver compound is of interest with respect to antibacterial properties and the structure displays a series of weak intermolecular hydrogen-bonding interactions with the chloride counter-anion.
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1- 苄基-3-(2,4,6-三甲基酚基)咪唑氯化物与双(三甲基硅基)酰胺钠处理后，再加入氯化银，就很容易生成标题化合物 [Ag2(C19H20N2)4]Cl-0.5C2H4Cl2。利用核磁共振光谱和单晶 X 射线衍射分析证实了该化合物的分子结构。标题化合物在 110 K 时的晶体结构具有单斜（P21/c）对称性。所代表的银化合物具有极佳的抗菌性能，其结构显示出一系列与氯反离子之间的弱分子间氢键相互作用。
{"title":"μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate","authors":"Kotiba Malek , Kuppuswamy Arumugam","doi":"10.1107/S2414314624008617","DOIUrl":"10.1107/S2414314624008617","url":null,"abstract":"<div><div>The solid-state structural analysis of the title compound reveals that the two molecules of bis(1-benzyl-3-mesitylimidazol-2-ylidene)silver are connected <em>via</em> a bridging chloride atom. The structure also reveals non-classical intermolecular hydrogen-bonding interactions involving the chloride counter-anion.</div></div><div><div>The title compound, [Ag<sub>2</sub>(C<sub>19</sub>H<sub>20</sub>N<sub>2</sub>)<sub>4</sub>]Cl·0.5C<sub>2</sub>H<sub>4</sub>Cl<sub>2</sub>, can be readily generated by treatment of (1-benzyl-3-(2,4,6-trimethylphenyl)imidazolium chloride with sodium bis(trimethylsilyl)amide followed by silver chloride. The molecular structure of the compound was confirmed using NMR spectroscopy and single-crystal X-ray diffraction analysis. The crystal structure of the title compound at 110 K has monoclinic (<em>P</em>2<sub>1</sub>/<em>c</em>) symmetry. The represented silver compound is of interest with respect to antibacterial properties and the structure displays a series of weak intermolecular hydrogen-bonding interactions with the chloride counter-anion.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (373KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451033/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-01DOI: 10.1107/S2414314624008459
Peter W. R. Corfield , Paul Salvi
The title structure is made up of diperiodic anionic CuICN networks and two independent CuII complexes that are not covalently bonded to the networks.
The title structure, {[Cu(C4H11NO)3][Cu4(CN)6]·[Cu(C4H10NO)2(H2O)]·H2O}n, is made up of diperiodic honeycomb CuICN networks built from [Cu4(CN)6]2− units, together with two independent CuII complexes: six-coordinate [Cu(CH3CH2CH(NH2)CH2OH)3]2+ cations, and five-coordinate [Cu(CH3CH2CH(NH2)CH2O)2·H2O] neutral species. The two CuII complexes are not covalently bonded to the CuICN networks. Strong O—H⋯O hydrogen bonds link the CuII complexes into pairs and the pairs are hydrogen bonded into chains along the crystallographic b axis via the hydrate water molecule. In addition, O—H⋯(CN) and N—H⋯(CN) hydrogen bonds link the cations to the CuCN network. In the honeycomb polymeric moiety, all bridging cyanido ligands are disordered over two orientations, head-to-tail and tail-to-head, with occupancies for C and N atoms varying for each CN group.
{"title":"Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","authors":"Peter W. R. Corfield , Paul Salvi","doi":"10.1107/S2414314624008459","DOIUrl":"10.1107/S2414314624008459","url":null,"abstract":"<div><p>The title structure is made up of diperiodic anionic Cu<sup>I</sup>CN networks and two independent Cu<sup>II</sup> complexes that are not covalently bonded to the networks.</p></div><div><p>The title structure, {[Cu(C<sub>4</sub>H<sub>11</sub>NO)<sub>3</sub>][Cu<sub>4</sub>(CN)<sub>6</sub>]·[Cu(C<sub>4</sub>H<sub>10</sub>NO)<sub>2</sub>(H<sub>2</sub>O)]·H<sub>2</sub>O}<sub>n</sub>, is made up of diperiodic honeycomb Cu<sup>I</sup>CN networks built from [Cu<sub>4</sub>(CN)<sub>6</sub>]<sup>2−</sup> units, together with two independent Cu<sup>II</sup> complexes: six-coordinate [Cu(CH<sub>3</sub>CH<sub>2</sub>CH(NH<sub>2</sub>)CH<sub>2</sub>OH)<sub>3</sub>]<sup>2+</sup> cations, and five-coordinate [Cu(CH<sub>3</sub>CH<sub>2</sub>CH(NH<sub>2</sub>)CH<sub>2</sub>O)<sub>2</sub>·H<sub>2</sub>O] neutral species. The two Cu<sup>II</sup> complexes are not covalently bonded to the Cu<sup>I</sup>CN networks. Strong O—H⋯O hydrogen bonds link the Cu<sup>II</sup> complexes into pairs and the pairs are hydrogen bonded into chains along the crystallographic <em>b</em> axis <em>via</em> the hydrate water molecule. In addition, O—H⋯(CN) and N—H⋯(CN) hydrogen bonds link the cations to the CuCN network. In the honeycomb polymeric moiety, all bridging cyanido ligands are disordered over two orientations, head-to-tail and tail-to-head, with occupancies for C and N atoms varying for each CN group.<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></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-01DOI: 10.1107/S2414314624007533
Kexin Zhang , Sihui Long
The title compound crystallizes with two molecules in the asymmetric unit. In the crystal, the two molecules associate to form an acid–acid dimer by pairwise O—H⋯O hydrogen bonds.
The title compound, C15H15NO2, crystallizes with two molecules in the asymmetric unit. In the crystal, the two molecules associate to form an acid–acid dimer by pairwise O—H⋯O hydrogen bonds.
{"title":"4-[(2-Phenylethyl)amino]benzoic acid","authors":"Kexin Zhang , Sihui Long","doi":"10.1107/S2414314624007533","DOIUrl":"10.1107/S2414314624007533","url":null,"abstract":"<div><p>The title compound crystallizes with two molecules in the asymmetric unit. In the crystal, the two molecules associate to form an acid–acid dimer by pairwise O—H⋯O hydrogen bonds.</p></div><div><p>The title compound, C<sub>15</sub>H<sub>15</sub>NO<sub>2</sub>, crystallizes with two molecules in the asymmetric unit. In the crystal, the two molecules associate to form an acid–acid dimer by pairwise O—H⋯O hydrogen bonds.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (182KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-01DOI: 10.1107/S2414314624007521
Qiuyi Song , Sihui Long
The molecules of the title compound form acid–acid homodimers in the crystal structure.
In the title compound, C14H14O3, the dihedral angle between the aromatic rings is 39.76 (9)°. In the crystal, the molecules associate to form centrosymmetric acid–acid dimers linked by pairwise O—H⋯O hydrogen bonds. The precision of the geometric parameters in the present single-crystal study is about an order of magnitude better than the previous powder diffraction study [Chattopadhyay et al. (2013#). CrystEngComm, 15, 1077–1085].
{"title":"Redetermined structure of 4-(benzyloxy)benzoic acid","authors":"Qiuyi Song , Sihui Long","doi":"10.1107/S2414314624007521","DOIUrl":"10.1107/S2414314624007521","url":null,"abstract":"<div><p>The molecules of the title compound form acid–acid homodimers in the crystal structure.</p></div><div><p>In the title compound, C<sub>14</sub>H<sub>14</sub>O<sub>3</sub>, the dihedral angle between the aromatic rings is 39.76 (9)°. In the crystal, the molecules associate to form centrosymmetric acid–acid dimers linked by pairwise O—H⋯O hydrogen bonds. The precision of the geometric parameters in the present single-crystal study is about an order of magnitude better than the previous powder diffraction study [Chattopadhyay <em>et al.</em> (2013<span><span>#</span></span>). <em>CrystEngComm</em>, <strong>15</strong>, 1077–1085].<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (196KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-01DOI: 10.1107/S2414314624008319
Eric Cyriel Hosten , Richard Betz
In the crystal, classical N—H⋯O hydrogen bonds as well as C—H⋯O contacts connect the cationic and anionic entities into sheets lying parallel to the ab plane.
The title compound (systematic name: pyridinium 4-methylbenzenesulfonate), C5H6N+·C7H7O3S−, is the pyridinium salt of para-toluenesulfonic acid. In the crystal, classical N—H⋯O hydrogen bonds as well as C—H⋯O contacts connect the cationic and anionic entities into sheets lying parallel to the ab plane.
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标题化合物（系统名称：4-甲基苯磺酸吡啶鎓），C5H6N+-C7H7O3S-，是对甲苯磺酸的吡啶鎓盐。在晶体中，经典的 N-H⋯O 氢键和 C-H⋯O 接触将阳离子和阴离子实体连接成平行于 ab 平面的薄片：下载高清图片 (187KB)Download：下载全尺寸图像
{"title":"Pyridinium tosylate","authors":"Eric Cyriel Hosten , Richard Betz","doi":"10.1107/S2414314624008319","DOIUrl":"10.1107/S2414314624008319","url":null,"abstract":"<div><p>In the crystal, classical N—H⋯O hydrogen bonds as well as C—H⋯O contacts connect the cationic and anionic entities into sheets lying parallel to the <em>ab</em> plane.</p></div><div><p>The title compound (systematic name: pyridinium 4-methylbenzenesulfonate), C<sub>5</sub>H<sub>6</sub>N<sup>+</sup>·C<sub>7</sub>H<sub>7</sub>O<sub>3</sub>S<sup>−</sup>, is the pyridinium salt of <em>para</em>-toluenesulfonic acid. In the crystal, classical N—H⋯O hydrogen bonds as well as C—H⋯O contacts connect the cationic and anionic entities into sheets lying parallel to the <em>ab</em> plane.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (187KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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