Viktoriya V. Dyakonenko , Dmytro M. Khomenko , Roman O. Doroshchuk , Ganna V. Ivanova , Rostyslav D. Lampeka
{"title":"二氯[2-(3-环戊基-1,2,4-三唑-5-基-κN4)吡啶-κN]钯(II)二甲基甲酰胺单溶胶的晶体结构和希尔施菲尔德表面分析","authors":"Viktoriya V. Dyakonenko , Dmytro M. Khomenko , Roman O. Doroshchuk , Ganna V. Ivanova , Rostyslav D. Lampeka","doi":"10.1107/S2056989024007801","DOIUrl":null,"url":null,"abstract":"<div><p>The crystal structure of mononuclear dichloridopalladium(II) complex with 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine is reported and discussed.</p></div><div><p>This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl<sub>2</sub>(C<sub>12</sub>H<sub>14</sub>N<sub>4</sub>)]·C<sub>3</sub>H<sub>7</sub>NO. The compound crystalizes in the <em>P</em>2<sub>1</sub>/<em>c</em> space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(H<em>L</em><sup>c-Pe</sup>)Cl<sub>2</sub> [H<em>L</em><sup>c-Pe</sup> is 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine] and one molecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the <em>bc</em> plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H interactions is somewhat smaller, amounting to 12.4% and 5%, respectively.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 956-960"},"PeriodicalIF":0.5000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) dimethylformamide monosolvate\",\"authors\":\"Viktoriya V. Dyakonenko , Dmytro M. Khomenko , Roman O. Doroshchuk , Ganna V. Ivanova , Rostyslav D. Lampeka\",\"doi\":\"10.1107/S2056989024007801\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The crystal structure of mononuclear dichloridopalladium(II) complex with 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine is reported and discussed.</p></div><div><p>This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl<sub>2</sub>(C<sub>12</sub>H<sub>14</sub>N<sub>4</sub>)]·C<sub>3</sub>H<sub>7</sub>NO. The compound crystalizes in the <em>P</em>2<sub>1</sub>/<em>c</em> space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(H<em>L</em><sup>c-Pe</sup>)Cl<sub>2</sub> [H<em>L</em><sup>c-Pe</sup> is 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine] and one molecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the <em>bc</em> plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H interactions is somewhat smaller, amounting to 12.4% and 5%, respectively.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 9\",\"pages\":\"Pages 956-960\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"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/S2056989024001816\",\"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/S2056989024001816","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 dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) dimethylformamide monosolvate
The crystal structure of mononuclear dichloridopalladium(II) complex with 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine is reported and discussed.
This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl2(C12H14N4)]·C3H7NO. The compound crystalizes in the P21/c space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(HLc-Pe)Cl2 [HLc-Pe is 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine] and one molecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the bc plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H interactions is somewhat smaller, amounting to 12.4% and 5%, respectively.
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.