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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...

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Autores principales: Ghabbour, Hazem A., Kadi, Adnan A., El-Subbagh, Hussein I., Chia, Tze Shyang, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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).
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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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