{"title":"Crystal Structure of 6-Aza-3,9-dithiaundecane Hydrochloride","authors":"Mari Toyama, K. Chayama","doi":"10.2116/xraystruct.35.55","DOIUrl":null,"url":null,"abstract":"was also observed in a series of acyclic polythioethers. 5 The title compound consists of two parts: a protonated N -H-ATU cation, ( N -H 2 -ATU) + , and a Cl – anion. Two hydrogen atoms on the N1 atom connect with the counter anion, Cl – , The crystal structure of the title compound, 6-aza-3,9-dithiaundecane hydrochloride ( N -H-ATU·HCl), was determined by X-ray crystallography. The hydrogen-bonding networks in the crystal extend along with the b and c axes to form a 2D-triple-sheet, in which the Cl – ions put between two ( N -H 2 -ATU) + sheets. The compound was crystallized in an orthorhombic system as: Pccn , a = 25.0091(4), b = 5.39364(10), c = 9.37759(19)Å, Z = 4, V = 1264.94(4)Å 3 . The R 1 and wR 2 values were 0.0341 and 0.0880, respectively, for 1162 reflections.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.1000,"publicationDate":"2019-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/xraystruct.35.55","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
was also observed in a series of acyclic polythioethers. 5 The title compound consists of two parts: a protonated N -H-ATU cation, ( N -H 2 -ATU) + , and a Cl – anion. Two hydrogen atoms on the N1 atom connect with the counter anion, Cl – , The crystal structure of the title compound, 6-aza-3,9-dithiaundecane hydrochloride ( N -H-ATU·HCl), was determined by X-ray crystallography. The hydrogen-bonding networks in the crystal extend along with the b and c axes to form a 2D-triple-sheet, in which the Cl – ions put between two ( N -H 2 -ATU) + sheets. The compound was crystallized in an orthorhombic system as: Pccn , a = 25.0091(4), b = 5.39364(10), c = 9.37759(19)Å, Z = 4, V = 1264.94(4)Å 3 . The R 1 and wR 2 values were 0.0341 and 0.0880, respectively, for 1162 reflections.
在一系列无环聚硫醚中也观察到。标题化合物由两部分组成:质子化的N - h - atu阳离子(N - h 2 - atu) +和Cl -阴离子。N1原子上的两个氢原子与反阴离子Cl -连接，用x射线晶体学测定了标题化合物6-叠氮-3,9-二硫代十一烷盐酸盐(N - h - atu·HCl)的晶体结构。晶体中的氢键网络沿b轴和c轴延伸形成二维三层，其中Cl -离子位于两个(N - h2 - atu) +层之间。化合物在正交晶系中结晶为:Pccn, a = 25.0091(4)， b = 5.39364(10)， c = 9.37759(19)Å， Z = 4, V = 1264.94(4)Å 3。1162次反射的r1和wr2值分别为0.0341和0.0880。
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