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2,3-二溴-1-(4-氯苯基)-3-(5-硝基-2-呋喃基)丙-1-酮

2,3-Dibromo-1-(4-chloro-phen-yl)-3-(5-nitro-2-fur-yl)propan-1-one.

作者信息

Fun Hoong-Kun, Yeap Chin Sing, Shetty Shobhitha, Kalluraya Balakrishna

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3220. doi: 10.1107/S1600536810046829.

DOI:10.1107/S1600536810046829
PMID:21589511
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011530/
Abstract

In the title compound, C(13)H(8)Br(2)ClNO(4), the linking -CHBr-CHBr- fragment is disordered over two orientations with refined site occupancies of 0.512 (11) and 0.488 (11). The dihedral angle between the furan ring and the phenyl ring is 21.86 (16)°. In the crystal, the mol-ecules are linked into [011] chains by inter-molecular C-H⋯O hydrogen bonds.

摘要

在标题化合物C₁₃H₈Br₂ClNO₄中，连接片段-CHBr-CHBr-在两种取向上无序，其精制的位点占有率分别为0.512 (11)和0.488 (11)。呋喃环与苯环之间的二面角为21.86 (16)°。在晶体中，分子通过分子间的C-H⋯O氢键连接成[011]链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1893/3011530/c186755509b8/e-66-o3220-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1893/3011530/723ea2cf23c7/e-66-o3220-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1893/3011530/c186755509b8/e-66-o3220-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1893/3011530/723ea2cf23c7/e-66-o3220-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1893/3011530/c186755509b8/e-66-o3220-fig2.jpg

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本文引用的文献

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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.
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Convenient access to 1,3,4-trisubstituted pyrazoles carrying 5-nitrothiophene moiety via 1,3-dipolar cycloaddition of sydnones with acetylenic ketones and their antimicrobial evaluation.
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