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3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one

The title chalcone derivative, C(13)H(8)ClFOS, crystallized as an inversion twin with two independent mol­ecules in the asymmetric unit. The thio­phene rings in both mol­ecules are disordered over two sites: the ratios of occupancies for the major and minor components in the two mol­ecules are 0.820...

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Autores principales: Fun, Hoong-Kun, Chantrapromma, Suchada, Patil, P. S., Dharmaprakash, S. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960501/
https://www.ncbi.nlm.nih.gov/pubmed/21201705
http://dx.doi.org/10.1107/S1600536808024872
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author Fun, Hoong-Kun
Chantrapromma, Suchada
Patil, P. S.
Dharmaprakash, S. M.
author_facet Fun, Hoong-Kun
Chantrapromma, Suchada
Patil, P. S.
Dharmaprakash, S. M.
author_sort Fun, Hoong-Kun
collection PubMed
description The title chalcone derivative, C(13)H(8)ClFOS, crystallized as an inversion twin with two independent mol­ecules in the asymmetric unit. The thio­phene rings in both mol­ecules are disordered over two sites: the ratios of occupancies for the major and minor components in the two mol­ecules 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 thio­phene and benzene rings are 1.13 (18) and 2.2 (6)°, respectively, in one mol­ecule, with corresponding values 6.09 (17) and 1.3 (6)° in the other. Weak intra­molecular C—H⋯O and C—H⋯F inter­actions involving the prop-2-en-1-one group generate an S(5)S(5) ring motif, whereas a weak intra­molecular C—H⋯Cl contact generates an S(6) ring motif. In the crystal structure, mol­ecules 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 inter­actions.
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spelling pubmed-29605012010-12-30 3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one Fun, Hoong-Kun Chantrapromma, Suchada Patil, P. S. Dharmaprakash, S. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title chalcone derivative, C(13)H(8)ClFOS, crystallized as an inversion twin with two independent mol­ecules in the asymmetric unit. The thio­phene rings in both mol­ecules are disordered over two sites: the ratios of occupancies for the major and minor components in the two mol­ecules 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 thio­phene and benzene rings are 1.13 (18) and 2.2 (6)°, respectively, in one mol­ecule, with corresponding values 6.09 (17) and 1.3 (6)° in the other. Weak intra­molecular C—H⋯O and C—H⋯F inter­actions involving the prop-2-en-1-one group generate an S(5)S(5) ring motif, whereas a weak intra­molecular C—H⋯Cl contact generates an S(6) ring motif. In the crystal structure, mol­ecules 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 inter­actions. International Union of Crystallography 2008-08-09 /pmc/articles/PMC2960501/ /pubmed/21201705 http://dx.doi.org/10.1107/S1600536808024872 Text en © Fun et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Fun, Hoong-Kun
Chantrapromma, Suchada
Patil, P. S.
Dharmaprakash, S. M.
3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one
title 3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one
title_full 3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one
title_fullStr 3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one
title_full_unstemmed 3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one
title_short 3-(2-Chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one
title_sort 3-(2-chloro-6-fluoro­phen­yl)-1-(2-thien­yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960501/
https://www.ncbi.nlm.nih.gov/pubmed/21201705
http://dx.doi.org/10.1107/S1600536808024872
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