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1-[3,5-双-(三氟甲基)苯基]-2-溴乙烷-1-酮的晶体结构

Crystal structure of 1-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]-2-bromo-ethan-1-one.

作者信息

Chandrashekharappa Sandeep, Bairagi Keshab M, Mohan Mahendra K, Mohanlall Viresh, Kasumbwe Kabange, Venugopala Katharigatta N, Nayak Susanta K

机构信息

Institute for Stem Cell Biology and Regenerative Medicine (inStem), GKVK Campus, Bellary Road, Bangalore 560 065, Karnataka, India.

Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440010, Maharashtra, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 May 31;74(Pt 6):868-870. doi: 10.1107/S2056989018007478. eCollection 2018 Jun 1.

DOI:10.1107/S2056989018007478
PMID:29951247
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6002836/
Abstract

The title compound, CHBrFO, synthesized continuous stirring of 3,5-bis-(tri-fluoro-meth-yl) aceto-phenone with bromine in an acidic medium and concentrated under reduced pressure, crystallizes with four mol-ecules in the unit cell ( = 4) and one formula unit in the asymmetric unit. In the crystal, mol-ecules are linked in a head-to-tail fashion into dimers along the axis direction through weak C-H⋯Br and C-O⋯C inter-actions. C-H⋯O, C-F⋯π and F⋯F inter-actions are also observed.

摘要

标题化合物CHBrFO是通过在酸性介质中使3,5-双（三氟甲基）苯乙酮与溴持续搅拌并在减压下浓缩而合成的，其在晶胞中含有四个分子（Z = 4），在不对称单元中含有一个化学式单元。在晶体中，分子通过弱的C-H⋯Br和C-O⋯C相互作用沿轴方向以头对尾的方式连接成二聚体。还观察到C-H⋯O、C-F⋯π和F⋯F相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a15/6002836/7ef2c6bd383c/e-74-00868-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a15/6002836/79a16cc52c3e/e-74-00868-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a15/6002836/1bbe2191ba17/e-74-00868-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a15/6002836/7ef2c6bd383c/e-74-00868-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a15/6002836/79a16cc52c3e/e-74-00868-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a15/6002836/1bbe2191ba17/e-74-00868-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a15/6002836/7ef2c6bd383c/e-74-00868-fig3.jpg

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