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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2960501 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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