4-[(1H- 吡唑-1-基)甲基]苯甲酸乙酯的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-26 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025100

Ju-Xian Wang, Chao Feng

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引用次数: 0

摘要

在标题分子 C13H14N2O2 中，吡唑和苯环平均平面之间的二面角为 76.06 (11)°，乙基侧链的构象为反[C-O-C-C = -175.4 (3)°]。在晶体中，唯一的定向相互作用是涉及吡唑环和苯环的非常微弱的 C-H ⋯π 相互作用，从而形成了一个三维网络。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth-yl]benzoate.

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Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth-yl]benzoate.

In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°]. In the crystal, the only directional inter-actions are very weak C-H ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.