O. Şahin, O. Büyükgüngör, D. A. Köse, B. Zümreoğlu-Karan
{"title":"四氯代一水合镍的合成及晶体结构","authors":"O. Şahin, O. Büyükgüngör, D. A. Köse, B. Zümreoğlu-Karan","doi":"10.2116/ANALSCIX.24.X211","DOIUrl":null,"url":null,"abstract":"The title compound, tetraquaorotatonickel(II) monohydrate, C5H12N2O9Ni, crystallizes in the monoclinic space group P1 with the following unit-cell parameters: a = 7.2282(4)A, b = 8.2959(4)A, c = 10.0611(5)A, α = 80.115(4)°, β = 70.479(4)°, γ = 65.779(4)° and Z = 2. The NiII ion is coordinated by a deprotonated N atom and the carboxylate O atom of the orotate ligand and four aqua ligands in a distorted octahedral geometry. Intermolecular N-H…O and O-H…O hydrogen bonds produce R22(8), R22(12), R22(16), R32(8), R43(8) and R44(12) rings, which lead to a one-dimensional polymeric chains. An extensive three-dimensional network of N-H…O and O-H…O hydrogen bonds, π-π and N-H…π interactions are responsible for crystal stabilization.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"76 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Synthesis and Crystal Structure of Tetraquaorotatonickel(II) Monohydrate\",\"authors\":\"O. Şahin, O. Büyükgüngör, D. A. Köse, B. Zümreoğlu-Karan\",\"doi\":\"10.2116/ANALSCIX.24.X211\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The title compound, tetraquaorotatonickel(II) monohydrate, C5H12N2O9Ni, crystallizes in the monoclinic space group P1 with the following unit-cell parameters: a = 7.2282(4)A, b = 8.2959(4)A, c = 10.0611(5)A, α = 80.115(4)°, β = 70.479(4)°, γ = 65.779(4)° and Z = 2. The NiII ion is coordinated by a deprotonated N atom and the carboxylate O atom of the orotate ligand and four aqua ligands in a distorted octahedral geometry. Intermolecular N-H…O and O-H…O hydrogen bonds produce R22(8), R22(12), R22(16), R32(8), R43(8) and R44(12) rings, which lead to a one-dimensional polymeric chains. An extensive three-dimensional network of N-H…O and O-H…O hydrogen bonds, π-π and N-H…π interactions are responsible for crystal stabilization.\",\"PeriodicalId\":7796,\"journal\":{\"name\":\"Analytical Sciences: X-ray Structure Analysis Online\",\"volume\":\"76 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2008-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytical Sciences: X-ray Structure Analysis Online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2116/ANALSCIX.24.X211\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical Sciences: X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/ANALSCIX.24.X211","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1
摘要
标题化合物C5H12N2O9Ni在单斜空间群P1中结晶,晶胞参数为:a = 7.2282(4) a, b = 8.2959(4) a, c = 10.0611(5) a, α = 80.115(4)°,β = 70.479(4)°,γ = 65.779(4)°,Z = 2。NiII离子是由一个去质子化的N原子和一个羧酸O原子配位的旋合配体和四个水配体在一个扭曲的八面体几何。分子间N-H…O和O- h…O氢键形成R22(8)、R22(12)、R22(16)、R32(8)、R43(8)和R44(12)环,形成一维聚合物链。N-H…O和O- h…O氢键、π-π和N-H…π相互作用的广泛三维网络是晶体稳定的原因。
Synthesis and Crystal Structure of Tetraquaorotatonickel(II) Monohydrate
The title compound, tetraquaorotatonickel(II) monohydrate, C5H12N2O9Ni, crystallizes in the monoclinic space group P1 with the following unit-cell parameters: a = 7.2282(4)A, b = 8.2959(4)A, c = 10.0611(5)A, α = 80.115(4)°, β = 70.479(4)°, γ = 65.779(4)° and Z = 2. The NiII ion is coordinated by a deprotonated N atom and the carboxylate O atom of the orotate ligand and four aqua ligands in a distorted octahedral geometry. Intermolecular N-H…O and O-H…O hydrogen bonds produce R22(8), R22(12), R22(16), R32(8), R43(8) and R44(12) rings, which lead to a one-dimensional polymeric chains. An extensive three-dimensional network of N-H…O and O-H…O hydrogen bonds, π-π and N-H…π interactions are responsible for crystal stabilization.