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4-[(E)-4-甲氧基-亚苄基氨基]-3-{1-[4-(2-甲基丙基)苯基]乙基}-1H-1,2,4-三唑-5(4H)-硫酮

4-[(E)-4-Methoxy-benzyl-ideneamino]-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.

作者信息

Fun Hoong-Kun, Jebas Samuel Robinson, Sujith K V, Kalluraya Balakrishna

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):o1149-50. doi: 10.1107/S1600536809014949.

DOI:10.1107/S1600536809014949
PMID:21583953
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977816/
Abstract

In the title compound, C(22)H(26)N(4)OS, the benzene rings of the (2-methyl-prop-yl)phenyl and 4-methoxy-phenyl units form dihedral angles of 66.85 (3) and 25.96 (3)°, respectively, with the triazole ring. The dihedral angle between the two benzene rings is 87.42 (2)°. The -CH(CH(3)) linkage is disordered over two orientations with occupancies of 0.907 (3) and 0.093 (3). An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. Inter-molecular N-H⋯S hydrogen bonds and C-H⋯π inter-actions are observed.

摘要

在标题化合物C₂₂H₂₆N₄OS中，(2-甲基丙基)苯基和4-甲氧基苯基单元的苯环与三唑环分别形成66.85 (3)°和25.96 (3)°的二面角。两个苯环之间的二面角为87.42 (2)°。-CH(CH₃)键在两个取向上无序，占有率分别为0.907 (3)和0.093 (3)。分子内C-H⋯S氢键形成一个S(6)环模式。观察到分子间N-H⋯S氢键和C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21a8/2977816/9add8e8c4d40/e-65-o1149-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21a8/2977816/f4318c593112/e-65-o1149-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21a8/2977816/9add8e8c4d40/e-65-o1149-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21a8/2977816/f4318c593112/e-65-o1149-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21a8/2977816/9add8e8c4d40/e-65-o1149-fig2.jpg

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