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4-{4-[(4-氧代喹唑啉-3-基)甲基]-1H-1,2,3-三唑-1-基}丁基乙酸酯

4-{4-[(4-Oxoquinazolin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}butyl acetate.

作者信息

Ouahrouch Abdelaaziz, Taourirte Moha, Lazrek Hassan B, El Azhari Mohamed, Saadi Mohamed, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3191. doi: 10.1107/S1600536811045600. Epub 2011 Nov 5.

DOI:10.1107/S1600536811045600
PMID:22199711
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238858/
Abstract

In the heterocyclic title compound, C(17)H(19)N(5)O(3), the quinazolinone ring system forms a dihedral angle of 67.22 (7)° with the triazole ring. The butyl acetate group has a non-linear conformation, with an alternation of synclinal and anti-periplanar torsion angles [N-C-C-C = 58.5 (2)°, C-C-C-C = 170.72 (19)° and C-C-C-O = -65.9 (3)°]. The crystal structure features inter-molecular C-H⋯N and C-H⋯O non-classical hydrogen bonds, building an infinite one-dimensional network along the [100] direction.

摘要

在杂环标题化合物C(17)H(19)N(5)O(3)中，喹唑啉酮环系统与三唑环形成67.22 (7)°的二面角。乙酸丁酯基团具有非线性构象，顺式和反式扭转角交替出现[N-C-C-C = 58.5 (2)°，C-C-C-C = 170.72 (19)°和C-C-C-O = -65.9 (3)°]。晶体结构具有分子间C-H⋯N和C-H⋯O非经典氢键，沿[100]方向构建了一个无限的一维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae7f/3238858/9ab87a28eb89/e-67-o3191-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae7f/3238858/f31802da8e28/e-67-o3191-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae7f/3238858/9ab87a28eb89/e-67-o3191-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae7f/3238858/f31802da8e28/e-67-o3191-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae7f/3238858/9ab87a28eb89/e-67-o3191-fig2.jpg

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