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5-（2-甲氧基-苄基）-4-（2-甲氧基-苯基）-4H-1,2,4-三唑-3-醇

5-(2-Methoxy-benz-yl)-4-(2-methoxy-phen-yl)-4H-1,2,4-triazol-3-ol.

作者信息

Hanif Muhammad, Qadeer Ghulam, Rama Nasim Hasan, Akhtar Javeed, Helliwell Madeleine

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):o329. doi: 10.1107/S1600536809001482.

DOI:10.1107/S1600536809001482
PMID:21581933
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968299/
Abstract

In the mol-ecule of the title compound, C(17)H(17)N(3)O(3), the triazole ring is oriented at dihedral angles of 88.09 (3) and 83.72 (3)° with respect to the 2-methoxy-benzyl and 2-methoxy-phenyl rings, respectively. The dihedral angle between the 2-methoxy-benzyl and 2-methoxy-phenyl rings is 52.95 (3)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is a π-π contact between the 2-methoxy-phenyl rings [centroid-centroid distance = 3.811 (3) Å].

摘要

在标题化合物C(17)H(17)N(3)O(3)的分子中，三唑环相对于2-甲氧基苄基环和2-甲氧基苯基环的二面角分别为88.09 (3)°和83.72 (3)°。2-甲氧基苄基环和2-甲氧基苯基环之间的二面角为52.95 (3)°。在晶体结构中，分子间的N-H⋯O氢键将分子连接成中心对称的二聚体。2-甲氧基苯基环之间存在π-π接触[质心-质心距离 = 3.811 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d46e/2968299/c153854257ea/e-65-0o329-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d46e/2968299/fd8628848c3d/e-65-0o329-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d46e/2968299/ffb871f71218/e-65-0o329-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d46e/2968299/c153854257ea/e-65-0o329-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d46e/2968299/fd8628848c3d/e-65-0o329-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d46e/2968299/ffb871f71218/e-65-0o329-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d46e/2968299/c153854257ea/e-65-0o329-fig3.jpg

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