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Methyl 3,5-dibromo-4-methyl-benzoate.

作者信息

Saeed Aamer, Rafique Hummera, Simpson Jim, Ashraf Zaman

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 31;66(Pt 4):o982-3. doi: 10.1107/S1600536810011062.

DOI:10.1107/S1600536810011062
PMID:21580779
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983755/
Abstract

In the title compound, C(9)H(8)Br(2)O(2), the mol-ecule is essentially planar with an r.m.s. deviation of 0.0652 Å from the mean plane through all non-H atoms and a dihedral angle of 7.1 (2)° between the benzene ring plane and the carboxyl-ate substituent. In the crystal structure, weak C-H⋯Br hydrogen bonds and weak inter-molecular O⋯Br contacts [3.095 (2) Å], link adjacent mol-ecules into layers parallel to (102). Additional weak inter-molecular C-H⋯O hydrogen bond inter-actions stack the layers above and below the mol-ecular plane and down the a axis.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d6d/2983755/b015923d0d9e/e-66-0o982-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d6d/2983755/b31b27c378fb/e-66-0o982-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d6d/2983755/b015923d0d9e/e-66-0o982-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d6d/2983755/b31b27c378fb/e-66-0o982-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d6d/2983755/b015923d0d9e/e-66-0o982-fig2.jpg

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