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9-丁基-6-[2-(吡啶-4-基)乙烯基]咔唑-3-胺的晶体结构

Crystal structure of 9-butyl-6-[2-(pyridin-4-yl)ethen-yl]carbazol-3-amine.

作者信息

Zhang Ping, Bai Xiang-Yang, Zhang Ting

机构信息

Deparment of Chemistry, Anhui Science and Technolgy University, Fengyang 233100, People's Republic of China.

College of Chemistry & Chemical Engineering, Anhui University, Hefei 230039, People's Republic of China, Key Laboratory of Functional Inorganic Materials of Anhui Province, Hefei 230039, People's Republic of China.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Apr 25;71(Pt 5):o345-6. doi: 10.1107/S2056989015007975. eCollection 2015 May 1.

DOI:10.1107/S2056989015007975
PMID:25995940
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4420045/
Abstract

The asymmetric unit of the title compound, C23H23N3, consists of two mol-ecules, A and B, with different conformations. In mol-ecule A, the dihedral angle between the carbazole ring system (r.m.s. deviation = 0.028 Å) and the pyridine ring is 20.28 (9)° and the N-C-C-C torsion angle of the butyl side chain is -63.4 (3)°. The equivalent data for mol-ecule B are 0.065 Å, 48.28 (11)° and 61.0 (3)°, respectively. In the crystal, the components are connected by weak N-H⋯N hydrogen bonds, generating [030] C(14) chains of alternating A and B mol-ecules.

摘要

标题化合物C23H23N3的不对称单元由两个构象不同的分子A和B组成。在分子A中,咔唑环系统(均方根偏差 = 0.028 Å)与吡啶环之间的二面角为20.28 (9)°,丁基侧链的N-C-C-C扭转角为-63.4 (3)°。分子B的等效数据分别为0.065 Å、48.28 (11)°和61.0 (3)°。在晶体中,各组分通过弱N-H⋯N氢键相连,形成由A和B分子交替排列的[030] C(14)链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13c8/4420045/e3c792d14b19/e-71-0o345-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13c8/4420045/e3c792d14b19/e-71-0o345-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13c8/4420045/e3c792d14b19/e-71-0o345-fig1.jpg

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