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1-苄基-5-{[(异丙基氨基)(3-硝基苯氧基)亚甲基]氨基}-1H-1,2,3-三唑-4-羧酸乙酯

Ethyl 1-benzyl-5-{[(isopropyl-amino)(3-nitro-phen-oxy)methyl-idene]amino}-1H-1,2,3-triazole-4-carboxyl-ate.

作者信息

Wang Hong-Mei, Deng Shou-Heng, Zeng Xiao-Hua, Chen Ping, Cao Feng-Jun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 17;66(Pt 12):o3207-8. doi: 10.1107/S1600536810046659.

DOI:10.1107/S1600536810046659
PMID:21589501
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011645/
Abstract

In the title compound, C(22)H(24)N(6)O(5), the triazole ring is essentially planar with a maximum deviation of 0.005 (2) Å and forms dihedral angles of 79.78 (11) and 86.22 (11)° with the phenyl and benzene rings, respectively. In the crystal, mol-ecules are linked by inter-molecular N-H⋯N, C-H⋯O and C-H⋯π inter-actions into a three-dimensional network.

摘要

在标题化合物C₂₂H₂₄N₆O₅中，三唑环基本呈平面状，最大偏差为0.005 (2) Å，分别与苯环和苯基环形成79.78 (11)°和86.22 (11)°的二面角。在晶体中，分子通过分子间的N-H⋯N、C-H⋯O和C-H⋯π相互作用连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e891/3011645/e940e622ac35/e-66-o3207-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e891/3011645/e940e622ac35/e-66-o3207-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e891/3011645/e940e622ac35/e-66-o3207-fig1.jpg

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