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1-二溴甲基-4-甲氧基-2-硝基苯

1-Dibromo-methyl-4-meth-oxy-2-nitro-benzene.

作者信息

Fun Hoong-Kun, Goh Jia Hao, Chandrakantha B, Isloor Arun M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 19;65(Pt 9):o2193-4. doi: 10.1107/S1600536809031833.

Abstract

The asymmetric unit of the title compound, C(8)H(7)Br(2)NO(3), comprises two crystallographically independent mol-ecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9)° in mol-ecules A and B, respectively. In each mol-ecule, the dibromo-methyl group is orientated in such a way that the two Br atoms are tilted away from the benzene ring. An inter-esting features of the crystal structure is the two short Br⋯Br inter-actions which, together with inter-molecular C-H⋯O hydrogen bonds, link the mol-ecules into an extended three-dimensional network. The crystal structure is further stabilized by weak C-H⋯π inter-actions.

摘要

标题化合物C(8)H(7)Br(2)NO(3)的不对称单元包含两个晶体学独立的分子(A和B)。硝基与相连的苯环呈扭曲状,在分子A和B中,二面角分别为39.26 (9)°和35.90 (9)°。在每个分子中,二溴甲基的取向使得两个溴原子远离苯环倾斜。该晶体结构的一个有趣特征是两个短的Br⋯Br相互作用,它们与分子间的C-H⋯O氢键一起,将分子连接成一个扩展的三维网络。晶体结构还通过弱的C-H⋯π相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6707/2970072/2b74d5061548/e-65-o2193-fig1.jpg

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