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3-（4-溴苯基）-4-[2-（4-硝基苯基）肼基]呋喃-2（5H）-酮

3-(4-Bromo-phen-yl)-4-[2-(4-nitro-phen-yl)hydrazin-yl]furan-2(5H)-one.

作者信息

Xiao Zhu-Ping, Yi Li-Cheng, Li Jia-Liang, Zhang Bo, Liao Mei-Ling

机构信息

College of Chemistry and Chemical Engineering, Jishou University, Jishou 416000, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3086. doi: 10.1107/S1600536811043947. Epub 2011 Oct 29.

DOI:10.1107/S1600536811043947
PMID:22220091
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247473/
Abstract

In the title compound, C(16)H(12)BrN(3)O(4), the furan-2(5H)-one ring forms a dihedral angle of 33.19 (9)° with the 4-bromo-benzene unit and is nearly perpendicular to the 4-nitro-benzene segment, making a dihedral angle of 89.93 (10)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, generating an infinite chain along [010]. The chains are linked into a three-dimensional network by C-H⋯O, C-H⋯π and π-π contacts [centroid-centroid separation = 3.805 (2) Å].

摘要

在标题化合物C₁₆H₁₂BrN₃O₄中，呋喃 - 2(5H)-酮环与4 - 溴苯单元形成的二面角为33.19 (9)°，且几乎垂直于4 - 硝基苯片段，二面角为89.93 (10)°。在晶体中，N - H⋯O氢键连接分子，沿[010]方向生成无限链。这些链通过C - H⋯O、C - H⋯π和π - π接触[质心 - 质心间距 = 3.805 (2) Å]连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/f2f0ca76edd9/e-67-o3086-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/6015797c34c6/e-67-o3086-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/21cdc71040d7/e-67-o3086-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/c29d41f1e920/e-67-o3086-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/f2f0ca76edd9/e-67-o3086-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/6015797c34c6/e-67-o3086-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/21cdc71040d7/e-67-o3086-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/c29d41f1e920/e-67-o3086-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f073/3247473/f2f0ca76edd9/e-67-o3086-fig4.jpg

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Eur J Med Chem. 2011 Oct;46(10):4904-14. doi: 10.1016/j.ejmech.2011.07.047. Epub 2011 Aug 4.
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