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1-（3,3-二氯烯丙氧基）-4-甲基-2-硝基苯

1-(3,3-Dichloro-all-yloxy)-4-methyl-2-nitro-benzene.

作者信息

Ren Dong-Mei

机构信息

Security and Environment Engineering College, Capital University of Economics and Business, Beijing 10070, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1929. doi: 10.1107/S1600536812023057. Epub 2012 May 31.

DOI:10.1107/S1600536812023057
PMID:22719682
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379484/
Abstract

In the title compound, C(10)H(9)Cl(2)NO(3), the dihedral angle between the benzene ring and the plane of the nitro group is 39.1 (1)°, while that between the benzene ring and the plane through the three C and two Cl atoms of the dichloro-all-yloxy unit is 40.1 (1)°. In the crystal, C-H⋯O hydrogen bonds to the nitro groups form chains along the b axis. These chains are linked by inversion-related pairs of Cl⋯O inter-actions at a distance of 3.060 (3) Å, forming sheets approximately parallel to [-201] and generating R(2) (2)(18) rings. π-π contacts between benzene rings in adjacent sheets, with centroid-centroid distances of 3.671 (2) Å, stack mol-ecules along c.

摘要

在标题化合物C(10)H(9)Cl(2)NO(3)中，苯环与硝基平面之间的二面角为39.1 (1)°，而苯环与通过二氯烯丙氧基单元的三个C原子和两个Cl原子的平面之间的二面角为40.1 (1)°。在晶体中，与硝基形成的C—H⋯O氢键沿b轴形成链。这些链通过距离为3.060 (3) Å的Cl⋯O相互作用的反演相关对相连，形成大致平行于[-201]的片层，并生成R(2) (2)(18)环。相邻片层中苯环之间的π-π接触，质心间距为3.671 (2) Å，沿c轴堆积分子。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3379484/db3c51235630/e-68-o1929-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3379484/89e0f4074d54/e-68-o1929-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3379484/db3c51235630/e-68-o1929-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3379484/89e0f4074d54/e-68-o1929-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3379484/db3c51235630/e-68-o1929-fig2.jpg

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