{"title":"catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate] 的晶体结构。","authors":"Tristan Neumann, Inke Jess, Christian Näther","doi":"10.1107/S2056989016002632","DOIUrl":null,"url":null,"abstract":"<p><p>The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations. </p>","PeriodicalId":69147,"journal":{"name":"中华整形外科杂志","volume":"34 1","pages":"370-3"},"PeriodicalIF":0.0000,"publicationDate":"2016-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778826/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate].\",\"authors\":\"Tristan Neumann, Inke Jess, Christian Näther\",\"doi\":\"10.1107/S2056989016002632\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations. </p>\",\"PeriodicalId\":69147,\"journal\":{\"name\":\"中华整形外科杂志\",\"volume\":\"34 1\",\"pages\":\"370-3\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2016-02-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778826/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"中华整形外科杂志\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2056989016002632\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2016/3/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"中华整形外科杂志","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2056989016002632","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2016/3/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
聚合物标题化合物{[Cd(NCS)2(C6H6N2S)]-2CH3OH} n 的不对称单元由位于反转中心的一个镉(II)阳离子、一个硫代氰酸阴离子、一个吡啶-4-羧硫酰胺配体和一个甲醇分子组成。镉(II)阳离子由两个吡啶-4-羧基硫代酰胺配体的吡啶 N 原子和四个硫代氰酸根阴离子的 S 原子和 N 原子八面体配位,并通过成对的阴离子配体沿 [010] 方向连接成链。这些链通过分子间的 N-H⋯O 和 O-H⋯S 氢键进一步连接成沿 (201) 延伸的层。吡啶-4-羧基硫酰胺配体的一个氨基 H 原子与一个甲醇分子分子的 O 原子氢键相连,而与对称性相关的一个甲醇分子分子则是另一个吡啶-4-羧基硫酰胺配体 S 原子的供体基团,因此每个吡啶-4-羧基硫酰胺配体都形成了两对中心对称的 N-H⋯S 和 O-H⋯S 氢键。甲醇分子结构在两个方向上同样无序。
Crystal structure of catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate].
The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations.