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苯甲酸2,4-二甲基苯酯

2,4-Dimethyl-phenyl benzoate.

作者信息

Gowda B Thimme, Tokarčík Miroslav, Kožíšek Jozef, Babitha K S, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 19;64(Pt 7):o1280. doi: 10.1107/S1600536808017480.

DOI:10.1107/S1600536808017480
PMID:21202912
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961695/
Abstract

The crystal structure of the title compound (24DMPBA), C(15)H(14)O(2), resembles those of 4-methyl-phenyl benzoate, 2,3-dimethyl-phenyl benzoate and other aryl benzoates, with similar bond parameters. The central -O-C-O- group in 24DMPBA makes dihedral angles of 85.81 (5) and 5.71 (13)°, respectively, with the benzoyl and phenyl rings, while the two aromatic rings form a dihedral angle of 80.25 (5)°. The mol-ecules are packed with their axes parallel to the a-axis direction.

摘要

标题化合物（24DMPBA），即C(15)H(14)O(2)的晶体结构与4-甲基苯甲酸苯酯、2,3-二甲基苯甲酸苯酯及其他芳基苯甲酸酯的晶体结构相似，键参数也类似。24DMPBA中的中心-O-C-O-基团分别与苯甲酰基环和苯基环形成85.81 (5)°和5.71 (13)°的二面角，而两个芳环形成80.25 (5)°的二面角。分子沿其轴平行于a轴方向堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ce9/2961695/f940c367a989/e-64-o1280-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ce9/2961695/3fbb36d5f25f/e-64-o1280-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ce9/2961695/f940c367a989/e-64-o1280-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ce9/2961695/3fbb36d5f25f/e-64-o1280-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ce9/2961695/f940c367a989/e-64-o1280-fig2.jpg

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