{"title":"Crystal Structure of 1,3,6-Tribromocarbazole","authors":"A. Cowley, D. R. Johnston, D. Kays, D. Watkin","doi":"10.2116/ANALSCIX.24.X189","DOIUrl":null,"url":null,"abstract":"The crystal structure properties of 1,3,6-tribromocarbazole (1) are: orthorhombic, space group Pna21 with a = 17.3110(3)A, b = 4.5608(2)A, c = 14.9606(2)A, V = 1181.17(6)A3, Z = 4, R1 = 0.0267, wR2 = 0.0594 for the 2677 reflections (I > 3σ(I)). The solid state structure of 1 consists of layers of stacked molecules, with hydrogen bonding between the N-H bonds and the Br atoms of molecules on neighbouring stacks (H…Br distances = 2.840(1)A).","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"25 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical Sciences: X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/ANALSCIX.24.X189","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The crystal structure properties of 1,3,6-tribromocarbazole (1) are: orthorhombic, space group Pna21 with a = 17.3110(3)A, b = 4.5608(2)A, c = 14.9606(2)A, V = 1181.17(6)A3, Z = 4, R1 = 0.0267, wR2 = 0.0594 for the 2677 reflections (I > 3σ(I)). The solid state structure of 1 consists of layers of stacked molecules, with hydrogen bonding between the N-H bonds and the Br atoms of molecules on neighbouring stacks (H…Br distances = 2.840(1)A).
1,3,6-三溴咔唑(1)的晶体结构性质为:正交，空间群Pna21，其中a = 17.3110(3) a, b = 4.5608(2) a, c = 14.9606(2) a, V = 1181.17(6)A3, Z = 4, R1 = 0.0267, wR2 = 0.0594 (I > 3σ(I))。1的固态结构由分子层堆叠而成，N-H键与相邻层上分子的Br原子之间存在氢键(H…Br距离= 2.840(1)A)。
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