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1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one
The asymmetric unit of the title compound, C(13)H(11)BrN(2)OS, consists of two crystallographically independent molecules (A and B). In each molecule, the pyrrolidine ring adopts an envelope conformation with a methylene C atom as the flap atom. In molecule A, the central thiazole ring makes a...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379326/ https://www.ncbi.nlm.nih.gov/pubmed/22719524 http://dx.doi.org/10.1107/S160053681201954X |
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author | Ghabbour, Hazem A. Kadi, Adnan A. El-Subbagh, Hussein I. Chia, Tze Shyang Fun, Hoong-Kun |
author_facet | Ghabbour, Hazem A. Kadi, Adnan A. El-Subbagh, Hussein I. Chia, Tze Shyang Fun, Hoong-Kun |
author_sort | Ghabbour, Hazem A. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(13)H(11)BrN(2)OS, consists of two crystallographically independent molecules (A and B). In each molecule, the pyrrolidine ring adopts an envelope conformation with a methylene C atom as the flap atom. In molecule A, the central thiazole ring makes a dihedral angle of 36.69 (11)° with the adjacent phenyl ring, whereas the corresponding angle is 36.85 (12)° in molecule B. The pyrrolidine ring is slightly twisted from the thiazole ring, with C—N—C—N torsion angles of 4.8 (3) and 3.0 (4)° in molecules A and B, respectively. In the crystal, C—H⋯π and π–π [centroid-to-centroid distance = 3.7539 (14) Å] interactions are observed. The crystal studied was a pseudo-merohedral twin with twin law (-100 0-10 101) and a refined component ratio of 0.7188 (5):0.2812 (5). |
format | Online Article Text |
id | pubmed-3379326 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33793262012-06-20 1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one Ghabbour, Hazem A. Kadi, Adnan A. El-Subbagh, Hussein I. Chia, Tze Shyang Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(13)H(11)BrN(2)OS, consists of two crystallographically independent molecules (A and B). In each molecule, the pyrrolidine ring adopts an envelope conformation with a methylene C atom as the flap atom. In molecule A, the central thiazole ring makes a dihedral angle of 36.69 (11)° with the adjacent phenyl ring, whereas the corresponding angle is 36.85 (12)° in molecule B. The pyrrolidine ring is slightly twisted from the thiazole ring, with C—N—C—N torsion angles of 4.8 (3) and 3.0 (4)° in molecules A and B, respectively. In the crystal, C—H⋯π and π–π [centroid-to-centroid distance = 3.7539 (14) Å] interactions are observed. The crystal studied was a pseudo-merohedral twin with twin law (-100 0-10 101) and a refined component ratio of 0.7188 (5):0.2812 (5). International Union of Crystallography 2012-05-16 /pmc/articles/PMC3379326/ /pubmed/22719524 http://dx.doi.org/10.1107/S160053681201954X Text en © Ghabbour et al. 2012 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 Ghabbour, Hazem A. Kadi, Adnan A. El-Subbagh, Hussein I. Chia, Tze Shyang Fun, Hoong-Kun 1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one |
title | 1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one |
title_full | 1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one |
title_fullStr | 1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one |
title_full_unstemmed | 1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one |
title_short | 1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one |
title_sort | 1-(5-bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379326/ https://www.ncbi.nlm.nih.gov/pubmed/22719524 http://dx.doi.org/10.1107/S160053681201954X |
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