{"title":"(E)-4-溴-2-[(4-羟基苯基)亚甲基]-苯基-1-酸盐的晶体结构","authors":"Işın Kılıç, A. Agar, Ferda Erşahin, Ş. Işık","doi":"10.2116/ANALSCIX.24.X151","DOIUrl":null,"url":null,"abstract":"The title compound, (E)-4-bromo-2-[(4-hydroxyphenyl)iminomethyl]phenylen-1-olate, C13H10BrNO2, is in a zwitterionic form with a strong intramolecular N+-H…O- hydrogen bond. The title compound crystallizes in the monoclinic space group P21/c with the following unit-cell parameters: a = 12.6746(11)A, b = 12.8195(15)A, c = 7.1576(7)A, β = 94.993(7)° and V = 1158.6(2)A3. The crystal structure of this compound was solved by direct methods and refined to a final R = +0.0362 for 2285 reflections with I > 2σ(I).","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"36 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal Structure of (E)-4-Bromo-2-[(4-hydroxyphenyl)iminomethyl]-phenylen-1-olate\",\"authors\":\"Işın Kılıç, A. Agar, Ferda Erşahin, Ş. Işık\",\"doi\":\"10.2116/ANALSCIX.24.X151\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The title compound, (E)-4-bromo-2-[(4-hydroxyphenyl)iminomethyl]phenylen-1-olate, C13H10BrNO2, is in a zwitterionic form with a strong intramolecular N+-H…O- hydrogen bond. The title compound crystallizes in the monoclinic space group P21/c with the following unit-cell parameters: a = 12.6746(11)A, b = 12.8195(15)A, c = 7.1576(7)A, β = 94.993(7)° and V = 1158.6(2)A3. The crystal structure of this compound was solved by direct methods and refined to a final R = +0.0362 for 2285 reflections with I > 2σ(I).\",\"PeriodicalId\":7796,\"journal\":{\"name\":\"Analytical Sciences: X-ray Structure Analysis Online\",\"volume\":\"36 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.X151\",\"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.X151","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
标题化合物(E)-4-溴-2-[(4-羟基苯基)亚甲基]苯基-1-酸盐，C13H10BrNO2，呈两性离子形式，具有很强的分子内N+- h…O-氢键。该化合物在单斜空间群P21/c中结晶，晶胞参数为:a = 12.6746(11) a, b = 12.8195(15) a, c = 7.1576(7) a， β = 94.993(7)°，V = 1158.6(2)A3。该化合物的晶体结构用直接法求解，在I > 2σ(I)下反射2285次，最终R = +0.0362。
Crystal Structure of (E)-4-Bromo-2-[(4-hydroxyphenyl)iminomethyl]-phenylen-1-olate
The title compound, (E)-4-bromo-2-[(4-hydroxyphenyl)iminomethyl]phenylen-1-olate, C13H10BrNO2, is in a zwitterionic form with a strong intramolecular N+-H…O- hydrogen bond. The title compound crystallizes in the monoclinic space group P21/c with the following unit-cell parameters: a = 12.6746(11)A, b = 12.8195(15)A, c = 7.1576(7)A, β = 94.993(7)° and V = 1158.6(2)A3. The crystal structure of this compound was solved by direct methods and refined to a final R = +0.0362 for 2285 reflections with I > 2σ(I).
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