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{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone
The asymmetric unit of the title compound, C(21)H(13)ClFNO(2)S, contains two independent molecules with similar conformations. In the molecules, the thiazole ring is essentially planar [maximum atomic deviations = 0.014 (4) and 0.023 (5) Å] and is oriented with respect to the fluorophenyl ring a...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772451/ https://www.ncbi.nlm.nih.gov/pubmed/24046594 http://dx.doi.org/10.1107/S1600536813014621 |
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author | Venugopala, K. N. Nayak, Susanta K. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. |
author_facet | Venugopala, K. N. Nayak, Susanta K. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. |
author_sort | Venugopala, K. N. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(21)H(13)ClFNO(2)S, contains two independent molecules with similar conformations. In the molecules, the thiazole ring is essentially planar [maximum atomic deviations = 0.014 (4) and 0.023 (5) Å] and is oriented with respect to the fluorophenyl ring and chlorophenyl rings at 9.96 (18) and 70.39 (18)° in one molecule and at 7.50 (18) and 68.43 (18)° in the other; the dihedral angles between the fluorophenyl and chlorophenyl rings are 64.9 (2) and 64.6 (2)°, respectively. Intermolecular C—H⋯O and C—H⋯F hydrogen bonds stabilize the three-dimensional supramolecular architecture. Weak C—H⋯π and π–π interactions [centroid–centroid distance = 3.877 (3) Å] lead to a criss-cross molecular packing along the c axis. |
format | Online Article Text |
id | pubmed-3772451 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37724512013-09-17 {2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone Venugopala, K. N. Nayak, Susanta K. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(21)H(13)ClFNO(2)S, contains two independent molecules with similar conformations. In the molecules, the thiazole ring is essentially planar [maximum atomic deviations = 0.014 (4) and 0.023 (5) Å] and is oriented with respect to the fluorophenyl ring and chlorophenyl rings at 9.96 (18) and 70.39 (18)° in one molecule and at 7.50 (18) and 68.43 (18)° in the other; the dihedral angles between the fluorophenyl and chlorophenyl rings are 64.9 (2) and 64.6 (2)°, respectively. Intermolecular C—H⋯O and C—H⋯F hydrogen bonds stabilize the three-dimensional supramolecular architecture. Weak C—H⋯π and π–π interactions [centroid–centroid distance = 3.877 (3) Å] lead to a criss-cross molecular packing along the c axis. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772451/ /pubmed/24046594 http://dx.doi.org/10.1107/S1600536813014621 Text en © Venugopala et al. 2013 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 Venugopala, K. N. Nayak, Susanta K. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. {2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone |
title | {2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone |
title_full | {2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone |
title_fullStr | {2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone |
title_full_unstemmed | {2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone |
title_short | {2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone |
title_sort | {2-[(1,3-benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772451/ https://www.ncbi.nlm.nih.gov/pubmed/24046594 http://dx.doi.org/10.1107/S1600536813014621 |
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