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2-硝基-联苯-4,4'-二甲酸二甲酯

Dimethyl 2-nitro-biphenyl-4,4'-di-carboxyl-ate.

作者信息

Vieira Vanessa C M, Golen James A, Rheingold Arnold L, Manke David R

机构信息

Department of Chemistry and Biochemistry, University of Massachusetts Dartmouth, 285 Old Westport Road, North Dartmouth, MA 02747, USA.

Department of Chemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 28;70(Pt 3):o371. doi: 10.1107/S1600536814004218. eCollection 2014 Mar 1.

DOI:10.1107/S1600536814004218
PMID:24765053
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998483/
Abstract

The title compound, C16H13NO6, exhibits a biphenyl unit with a dihedral angle between the two aryl rings of 56.01 (5)°. The two ester groups vary slightly from planarity, with ar-yl-ester dihedral angles of 4.57 (5) and 16.73 (5)°. The nitro group is turned from the aromatic unit with an ar-yl-nitro dihedral angle of 48.66 (4)°. In the crystal, mol-ecules are connected by weak C-H⋯O inter-actions, forming a three-dimensional network.

摘要

标题化合物C₁₆H₁₃NO₆呈现出一个联苯单元,两个芳环之间的二面角为56.01 (5)°。两个酯基与平面略有偏差,芳基 - 酯二面角分别为4.57 (5)°和16.73 (5)°。硝基相对于芳环单元发生扭转,芳基 - 硝基二面角为48.66 (4)°。在晶体中,分子通过弱C - H⋯O相互作用连接,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3c1/3998483/7137342cca03/e-70-0o371-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3c1/3998483/b836c0c27aed/e-70-0o371-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3c1/3998483/7137342cca03/e-70-0o371-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3c1/3998483/b836c0c27aed/e-70-0o371-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3c1/3998483/7137342cca03/e-70-0o371-fig2.jpg

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本文引用的文献

1
Synthesis, structure, topology and magnetic properties of cobalt(II) coordination polymers with 2-nitrobiphenyl-4,4'-dicarboxylic acid and bis(pyridyl) ligands.2-硝基联苯-4,4'-二甲酸和双(吡啶基)配体的钴(II)配位聚合物的合成、结构、拓扑和磁性。
Dalton Trans. 2012 Dec 21;41(47):14316-28. doi: 10.1039/c2dt31917a.
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