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1,4-二正庚氧基-2,5-二硝基苯

1,4-Di-n-hept-yloxy-2,5-dinitro-benzene.

作者信息

Blackburn Octavia A, Coe Benjamin J, Futhey Robert, Helliwell Madeleine

机构信息

School of Chemistry, University of Manchester, Manchester M13 9PL, England.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 4;66(Pt 1):o36. doi: 10.1107/S160053680905123X.

DOI:10.1107/S160053680905123X
PMID:21580141
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980120/
Abstract

The complete molecule of the title compound, C(20)H(32)N(2)O(6), is generated by crystallographic inversion symmetry. The two mutually trans nitro substituents are hence in fully eclipsed conformation and also twisted by 43.2 (2)° with respect to the phenyl ring plane. The benzene-connected portions of the alk-oxy substituents lie almost coplanar with the ring [C-O-C-C torsion angle = 2.0 (2)°]. In the crystal, weak C-H⋯O interactions link the molecules.

摘要

标题化合物C(20)H(32)N(2)O(6)的完整分子由晶体学倒转对称性生成。因此,两个相互反式的硝基取代基处于完全重叠构象,并且相对于苯环平面扭转了43.2 (2)°。烷氧基取代基与苯相连的部分几乎与环共面[C-O-C-C扭转角 = 2.0 (2)°]。在晶体中,弱的C-H⋯O相互作用将分子连接起来。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d70/2980120/ecf3d7e662bb/e-66-00o36-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d70/2980120/39c9f6e11534/e-66-00o36-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d70/2980120/ecf3d7e662bb/e-66-00o36-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d70/2980120/39c9f6e11534/e-66-00o36-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d70/2980120/ecf3d7e662bb/e-66-00o36-fig2.jpg

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