{"title":"1,3,6-三溴咔唑的晶体结构","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":"{\"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}","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
摘要
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)。
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).
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
