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2,2'-二硝基联苯-4,4'-二羧酸二甲酯

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

作者信息

Lehane Ryan L, 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 15;70(Pt 3):o305. doi: 10.1107/S1600536814003067. eCollection 2014 Mar 1.

DOI:10.1107/S1600536814003067
PMID:24765007
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998396/
Abstract

The title compound, C16H12N2O8, exhibits two near-planar aromatic ester groups with ar-yl-ester dihedral angles of 2.1 (2) and 4.2 (3)°. The dihedral angle between the aromatic rings is 58.0 (1)°. The two nitro groups are tilted slightly from the plane of the aromatic rings, making dihedral angles of 14.1 (1) and 8.2 (2)°. 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C16H12N2O8具有两个近似平面的芳香酯基团，芳基酯二面角分别为2.1（2）°和4.2（3）°。芳香环之间的二面角为58.0（1）°。两个硝基相对于芳香环平面略有倾斜，二面角分别为14.1（1）°和8.2（2）°。在晶体中，分子通过弱C—H⋯O相互作用相连，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584a/3998396/7ad8df730007/e-70-0o305-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584a/3998396/12a69d3a3002/e-70-0o305-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584a/3998396/7ad8df730007/e-70-0o305-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584a/3998396/12a69d3a3002/e-70-0o305-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584a/3998396/7ad8df730007/e-70-0o305-fig2.jpg

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本文引用的文献

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Dalton Trans. 2012 Oct 21;41(39):12192-9. doi: 10.1039/c2dt31378b.
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Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.基于 2,2'-二硝基-4,4'-联苯二甲酸和半刚性 N-供体配体的配位聚合物的设计与构建：多样的结构和磁性能。
Dalton Trans. 2012 Mar 7;41(9):2677-84. doi: 10.1039/c1dt11654a. Epub 2012 Jan 12.
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Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.
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Dalton Trans. 2011 Jul 21;40(27):7219-27. doi: 10.1039/c1dt10158g. Epub 2011 Jun 10.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.