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

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

作者信息

Al-Abdullah Ebtehal S, Asiri Hanadi H, El-Emam Ali, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o344. doi: 10.1107/S160053681105570X. Epub 2012 Jan 11.

DOI:10.1107/S160053681105570X
PMID:22346973
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275028/
Abstract

The title mol-ecule, C(30)H(37)N(5)S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring [maximum deviation = 0.002 (2) Å] whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 80.4 (1)°]. The substit-uents on the piperazine ring occupy equatorial sites. Weak inter-molecular C-H⋯S hydrogen bonding is present in the crystal structure.

摘要

标题分子C(30)H(37)N(5)S呈现出椅式哌嗪环，以及一个近似平面的三唑环[最大偏差 = 0.002 (2) Å]，其苯基取代基几乎垂直于五元环的平均平面[二面角 = 80.4 (1)°]。哌嗪环上的取代基占据平伏位点。晶体结构中存在弱的分子间C-H⋯S氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb7f/3275028/3e1815e2da27/e-68-0o344-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb7f/3275028/3e1815e2da27/e-68-0o344-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb7f/3275028/3e1815e2da27/e-68-0o344-fig1.jpg

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Synthesis and anti-inflammatory and analgesic activity of some 3-(1-adamantyl)-4-substituted-5-mercapto-1,2,4-triazoles.某些3-(1-金刚烷基)-4-取代-5-巯基-1,2,4-三唑的合成及其抗炎和镇痛活性
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