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3-（金刚烷-1-基）-4-乙基-1- [（4-苯基-哌嗪-1-基）甲基] -1H-1,2,4-三唑-5（4H）-硫酮

3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione.

作者信息

El-Emam Ali A, Al-Abdullah Ebtehal S, Al-Tuwaijri Hanaa M, Said-Abdelbaky Mohammed, García-Granda Santiago

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2380-1. doi: 10.1107/S160053681202990X. Epub 2012 Jul 7.

DOI:10.1107/S160053681202990X
PMID:22904841
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414308/
Abstract

The title compound, C(25)H(35)N(5)S, has an approximately C-shaped conformation. The dihedral angle between the triazole and phenyl planes is 79.5 (2)°. The crystal structure consists of infinite chains parallel to the b axis, constructed by C-H⋯S hydrogen bonds between translation-related mol-ecules. Adjacent chains are linked via weak C-H⋯C inter-actions between the adamantyl and phenyl groups.

摘要

标题化合物C(25)H(35)N(5)S具有近似C形构象。三唑环与苯环平面之间的二面角为79.5 (2)°。晶体结构由平行于b轴的无限长链组成，这些链通过平移相关分子之间的C-H⋯S氢键构建而成。相邻的链通过金刚烷基和苯基之间的弱C-H⋯C相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/97a0/3414308/40558f23c4e5/e-68-o2380-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/97a0/3414308/40558f23c4e5/e-68-o2380-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/97a0/3414308/40558f23c4e5/e-68-o2380-fig1.jpg

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