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3-[1-(4-异丁基苯基)乙基]-1H-1,2,4-三唑-5(4H)-硫酮

3-[1-(4-Isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.

作者信息

Fun Hoong-Kun, Kia Reza, Samuel Robinson Jebas, Sujith K V, Kalluraya B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):o618. doi: 10.1107/S1600536809006394.

DOI:10.1107/S1600536809006394
PMID:21582270
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968424/
Abstract

In the title compound, C(14)H(19)N(3)S, the dihedral angle between the mean planes of the five- and six-membered rings is 74.69 (4)°. Pairs of inter-molecular N-H⋯S inter-actions link neighbouring mol-ecules into dimers with R(2) (2)(8) ring motifs. These dimers are then linked together by the same type of inter-actions into an infinite one-dimensional chain along the b axis.

摘要

在标题化合物C₁₄H₁₉N₃S中,五元环和六元环平均平面之间的二面角为74.69 (4)°。分子间的N—H⋯S相互作用对将相邻分子连接成具有R₂²(8)环模式的二聚体。然后,这些二聚体通过相同类型的相互作用沿着b轴连接成无限的一维链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7856/2968424/27867fa666e7/e-65-0o618-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7856/2968424/888f89cd74ae/e-65-0o618-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7856/2968424/27867fa666e7/e-65-0o618-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7856/2968424/888f89cd74ae/e-65-0o618-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7856/2968424/27867fa666e7/e-65-0o618-fig2.jpg

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