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3-(2-Chloro-6-fluoro-phen-yl)-1-(2-thien-yl)prop-2-en-1-one.

作者信息

Fun Hoong-Kun, Chantrapromma Suchada, Patil P S, Dharmaprakash S M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 9;64(Pt 9):o1720-1. doi: 10.1107/S1600536808024872.

DOI:10.1107/S1600536808024872
PMID:21201705
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960501/
Abstract

The title chalcone derivative, C(13)H(8)ClFOS, crystallized as an inversion twin with two independent mol-ecules in the asymmetric unit. The thio-phene rings in both mol-ecules are disordered over two sites: the ratios of occupancies for the major and minor components in the two mol-ecules are 0.820 (2):0.180 (2) and 0.853 (2):0.147 (2). The dihedral angles between the major and minor components of the thio-phene and benzene rings are 1.13 (18) and 2.2 (6)°, respectively, in one mol-ecule, with corresponding values 6.09 (17) and 1.3 (6)° in the other. Weak intra-molecular C-H⋯O and C-H⋯F inter-actions involving the prop-2-en-1-one group generate an S(5)S(5) ring motif, whereas a weak intra-molecular C-H⋯Cl contact generates an S(6) ring motif. In the crystal structure, mol-ecules of both the major and minor components are linked into infinite one-dimensional chains along the b axis. The crystal structure is stabilized by weak C-H⋯O, C-H⋯F, C-H⋯Cl and C-H⋯π inter-actions.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bdb2/2960501/f4142cef2b4e/e-64-o1720-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bdb2/2960501/d28aedd78acb/e-64-o1720-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bdb2/2960501/f4142cef2b4e/e-64-o1720-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bdb2/2960501/d28aedd78acb/e-64-o1720-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bdb2/2960501/f4142cef2b4e/e-64-o1720-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 16;64(Pt 8):o1510-1. doi: 10.1107/S1600536808021375.
2
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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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A series of substituted (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones.一系列取代的(2E)-3-(2-氟-4-苯氧基苯基)-1-苯基丙-2-烯-1-酮。
Acta Crystallogr C. 2007 Dec;63(Pt 12):o704-10. doi: 10.1107/S0108270107049426. Epub 2007 Nov 14.