Sivaraman Jagadeesan , Swinton Darious Robert , Perumal Venkatesan , Rajamanikandan Sundararaj , Krishnan Soundararajan , Jeeva Jasmine Nithianantham , W. T. A. Harrison (Editor)
{"title":"6,6'-dimethyl-2,2'-bi-pridine-1,1'-diium tetra-chlorido-cobaltate(II) 的晶体结构和 Hirshfeld 表面分析。","authors":"Sivaraman Jagadeesan , Swinton Darious Robert , Perumal Venkatesan , Rajamanikandan Sundararaj , Krishnan Soundararajan , Jeeva Jasmine Nithianantham , W. T. A. Harrison (Editor)","doi":"10.1107/S2056989024005152","DOIUrl":null,"url":null,"abstract":"<div><p>The title salt features N—H⋯Cl and C—H⋯Cl cation-to-anion hydrogen bonds and complementary anion-to-cation Cl⋯π interactions.</p></div><div><p>In the title molecular salt, (C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>)[CoCl<sub>4</sub>], the dihedral angle between the pyridine rings of the cation is 52.46 (9)° and the N—C—C—N torsion angle is −128.78 (14)°, indicating that the ring nitrogen atoms are in <em>anti</em>-clinal conformation. The Cl—Co—Cl bond angles in the anion span the range 105.46 (3)–117.91 (2)°. In the extended structure, the cations and anions are linked by cation-to-anion N—H⋯Cl and C—H⋯Cl interactions, facilitating the formation of <em>R</em><sup>4</sup><sub>4</sub>(18) and <em>R</em><sup>4</sup><sub>4</sub>(20) ring motifs. Furthermore, the crystal structure features weak anion-to-cation Cl⋯π interactions [Cl⋯π = 3.4891 (12) and 3.5465 (12) Å]. Hirshfeld two-dimensional fingerprint plots revealed that the most significant interactions are Cl⋯H/H⋯Cl (45.5%), H⋯H (29.0%), Cl⋯C/C⋯Cl (7.8%), Cl⋯N/N⋯Cl (3.5%), Cl⋯Cl (1.4) and Co⋯H (1%) contacts.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 7","pages":"Pages 709-712"},"PeriodicalIF":0.5000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223711/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and Hirshfeld surface analysis of 6,6′-dimethyl-2,2′-bipyridine-1,1′-diium tetrachloridocobaltate(II)\",\"authors\":\"Sivaraman Jagadeesan , Swinton Darious Robert , Perumal Venkatesan , Rajamanikandan Sundararaj , Krishnan Soundararajan , Jeeva Jasmine Nithianantham , W. T. A. Harrison (Editor)\",\"doi\":\"10.1107/S2056989024005152\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The title salt features N—H⋯Cl and C—H⋯Cl cation-to-anion hydrogen bonds and complementary anion-to-cation Cl⋯π interactions.</p></div><div><p>In the title molecular salt, (C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>)[CoCl<sub>4</sub>], the dihedral angle between the pyridine rings of the cation is 52.46 (9)° and the N—C—C—N torsion angle is −128.78 (14)°, indicating that the ring nitrogen atoms are in <em>anti</em>-clinal conformation. The Cl—Co—Cl bond angles in the anion span the range 105.46 (3)–117.91 (2)°. In the extended structure, the cations and anions are linked by cation-to-anion N—H⋯Cl and C—H⋯Cl interactions, facilitating the formation of <em>R</em><sup>4</sup><sub>4</sub>(18) and <em>R</em><sup>4</sup><sub>4</sub>(20) ring motifs. Furthermore, the crystal structure features weak anion-to-cation Cl⋯π interactions [Cl⋯π = 3.4891 (12) and 3.5465 (12) Å]. Hirshfeld two-dimensional fingerprint plots revealed that the most significant interactions are Cl⋯H/H⋯Cl (45.5%), H⋯H (29.0%), Cl⋯C/C⋯Cl (7.8%), Cl⋯N/N⋯Cl (3.5%), Cl⋯Cl (1.4) and Co⋯H (1%) contacts.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 7\",\"pages\":\"Pages 709-712\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223711/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024001373\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001373","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure and Hirshfeld surface analysis of 6,6′-dimethyl-2,2′-bipyridine-1,1′-diium tetrachloridocobaltate(II)
The title salt features N—H⋯Cl and C—H⋯Cl cation-to-anion hydrogen bonds and complementary anion-to-cation Cl⋯π interactions.
In the title molecular salt, (C12H14N2)[CoCl4], the dihedral angle between the pyridine rings of the cation is 52.46 (9)° and the N—C—C—N torsion angle is −128.78 (14)°, indicating that the ring nitrogen atoms are in anti-clinal conformation. The Cl—Co—Cl bond angles in the anion span the range 105.46 (3)–117.91 (2)°. In the extended structure, the cations and anions are linked by cation-to-anion N—H⋯Cl and C—H⋯Cl interactions, facilitating the formation of R44(18) and R44(20) ring motifs. Furthermore, the crystal structure features weak anion-to-cation Cl⋯π interactions [Cl⋯π = 3.4891 (12) and 3.5465 (12) Å]. Hirshfeld two-dimensional fingerprint plots revealed that the most significant interactions are Cl⋯H/H⋯Cl (45.5%), H⋯H (29.0%), Cl⋯C/C⋯Cl (7.8%), Cl⋯N/N⋯Cl (3.5%), Cl⋯Cl (1.4) and Co⋯H (1%) contacts.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.