{"title":"链链-聚[[二水-二咪达-唑-钴(II)]-μ2-2,3,5,6-四溴苯-1,4-二羧基-ato]的晶体结构。","authors":"Hitoshi Kumagai , Satoshi Kawata , Nobuhiro Ogihara","doi":"10.1107/S2056989024009915","DOIUrl":null,"url":null,"abstract":"<div><div>In [Co(Br<sub>4</sub>bdc)(im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], the Co<sup>II</sup> ions are bridged by the Br<sub>4</sub>bdc<sup>2−</sup> ligand, forming one-dimensional chains, which are interconnected by interchain N–H⋯O and O–H⋯O hydrogen-bonding and π–π interactions, yielding a three-dimensional network.</div></div><div><div>The asymmetric unit of the title compound, [Co(C<sub>8</sub>Br<sub>4</sub>O<sub>4</sub>)(C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub> or [Co(Br<sub>4</sub>bdc)(im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub>, comprises half of Co<sup>II</sup> ion, tetrabromobenzenedicarboxylate (Br<sub>4</sub>bdc<sup>2−</sup>), imidazole (im) and a water molecule. The Co<sup>II</sup> ion exhibits a six-coordinated octahedral geometry with two oxygen atoms of the Br<sub>4</sub>bdc<sup>2−</sup> ligand, two oxygen atoms of the water molecules, and two nitrogen atoms of the im ligands. The carboxylate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the Co<sup>II</sup> ion. The Co<sup>II</sup> ions are bridged by the Br<sub>4</sub>bdc<sup>2−</sup> ligand, forming a one-dimensional chain. The carboxylate group acts as an intermolecular hydrogen-bond acceptor toward the im ligand and a coordinated water molecule. The chains are connected by interchain N—H⋯O(carboxylate) and O—H(water)⋯O(carboxylate) hydrogen-bonding interactions and are not arranged in parallel but cross each other <em>via</em> interchain hydrogen bonding and π–π interactions, yielding a three-dimensional network.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1217-1220"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660475/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of catena-poly[[diaquadiimidazolecobalt(II)]-μ2-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]\",\"authors\":\"Hitoshi Kumagai , Satoshi Kawata , Nobuhiro Ogihara\",\"doi\":\"10.1107/S2056989024009915\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In [Co(Br<sub>4</sub>bdc)(im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], the Co<sup>II</sup> ions are bridged by the Br<sub>4</sub>bdc<sup>2−</sup> ligand, forming one-dimensional chains, which are interconnected by interchain N–H⋯O and O–H⋯O hydrogen-bonding and π–π interactions, yielding a three-dimensional network.</div></div><div><div>The asymmetric unit of the title compound, [Co(C<sub>8</sub>Br<sub>4</sub>O<sub>4</sub>)(C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub> or [Co(Br<sub>4</sub>bdc)(im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub>, comprises half of Co<sup>II</sup> ion, tetrabromobenzenedicarboxylate (Br<sub>4</sub>bdc<sup>2−</sup>), imidazole (im) and a water molecule. The Co<sup>II</sup> ion exhibits a six-coordinated octahedral geometry with two oxygen atoms of the Br<sub>4</sub>bdc<sup>2−</sup> ligand, two oxygen atoms of the water molecules, and two nitrogen atoms of the im ligands. The carboxylate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the Co<sup>II</sup> ion. The Co<sup>II</sup> ions are bridged by the Br<sub>4</sub>bdc<sup>2−</sup> ligand, forming a one-dimensional chain. The carboxylate group acts as an intermolecular hydrogen-bond acceptor toward the im ligand and a coordinated water molecule. The chains are connected by interchain N—H⋯O(carboxylate) and O—H(water)⋯O(carboxylate) hydrogen-bonding interactions and are not arranged in parallel but cross each other <em>via</em> interchain hydrogen bonding and π–π interactions, yielding a three-dimensional network.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 11\",\"pages\":\"Pages 1217-1220\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660475/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/S2056989024002585\",\"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/S2056989024002585","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure of catena-poly[[diaquadiimidazolecobalt(II)]-μ2-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]
In [Co(Br4bdc)(im)2(H2O)2], the CoII ions are bridged by the Br4bdc2− ligand, forming one-dimensional chains, which are interconnected by interchain N–H⋯O and O–H⋯O hydrogen-bonding and π–π interactions, yielding a three-dimensional network.
The asymmetric unit of the title compound, [Co(C8Br4O4)(C3H4N2)2(H2O)2]n or [Co(Br4bdc)(im)2(H2O)2]n, comprises half of CoII ion, tetrabromobenzenedicarboxylate (Br4bdc2−), imidazole (im) and a water molecule. The CoII ion exhibits a six-coordinated octahedral geometry with two oxygen atoms of the Br4bdc2− ligand, two oxygen atoms of the water molecules, and two nitrogen atoms of the im ligands. The carboxylate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the CoII ion. The CoII ions are bridged by the Br4bdc2− ligand, forming a one-dimensional chain. The carboxylate group acts as an intermolecular hydrogen-bond acceptor toward the im ligand and a coordinated water molecule. The chains are connected by interchain N—H⋯O(carboxylate) and O—H(water)⋯O(carboxylate) hydrogen-bonding interactions and are not arranged in parallel but cross each other via interchain hydrogen bonding and π–π interactions, yielding a three-dimensional network.
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.