1,3,6-三溴咔唑的晶体结构

A. Cowley, D. R. Johnston, D. Kays, D. Watkin
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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)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystal Structure of 1,3,6-Tribromocarbazole
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).
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