Crystal Structure of (E)-4-Bromo-2-[(4-hydroxyphenyl)iminomethyl]-phenylen-1-olate

Işın Kılıç, A. Agar, Ferda Erşahin, Ş. Işık
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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).
(E)-4-溴-2-[(4-羟基苯基)亚甲基]-苯基-1-酸盐的晶体结构
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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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