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(3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The crystal structure of the title compound, C(17)H(16)N(2)O(3)S, exhibits intra­molecular C—H⋯S and inter­molecular C—H⋯S and C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 3.033 (2) Å and C—S⋯N = 142.76 (9)°] inter­actions, and C—H⋯π inter­actions; these inter­actions generate S(4), S(6) and R (2) (2)(14) rin...

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Autores principales: Odabaşoğlu, Mustafa, Özkan, Hamdi, Yıldırır, Yılmaz, Büyükgüngör, Orhan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962057/
https://www.ncbi.nlm.nih.gov/pubmed/21203142
http://dx.doi.org/10.1107/S1600536808020102
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author Odabaşoğlu, Mustafa
Özkan, Hamdi
Yıldırır, Yılmaz
Büyükgüngör, Orhan
author_facet Odabaşoğlu, Mustafa
Özkan, Hamdi
Yıldırır, Yılmaz
Büyükgüngör, Orhan
author_sort Odabaşoğlu, Mustafa
collection PubMed
description The crystal structure of the title compound, C(17)H(16)N(2)O(3)S, exhibits intra­molecular C—H⋯S and inter­molecular C—H⋯S and C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 3.033 (2) Å and C—S⋯N = 142.76 (9)°] inter­actions, and C—H⋯π inter­actions; these inter­actions generate S(4), S(6) and R (2) (2)(14) ring motifs. The isoxazole ring adopts an envelope conformation, with the N atom displaced by 0.672 (2) Å from the plane of the other ring atoms. The thio­phene ring is oriented with respect to the succinimide and phenyl rings at dihedral angles of 40.03 (12) and 5.21 (13)°, respectively. The dihedral angle between the succinimide and phenyl rings is 39.38 (12)°.
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spelling pubmed-29620572010-12-30 (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione Odabaşoğlu, Mustafa Özkan, Hamdi Yıldırır, Yılmaz Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(17)H(16)N(2)O(3)S, exhibits intra­molecular C—H⋯S and inter­molecular C—H⋯S and C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 3.033 (2) Å and C—S⋯N = 142.76 (9)°] inter­actions, and C—H⋯π inter­actions; these inter­actions generate S(4), S(6) and R (2) (2)(14) ring motifs. The isoxazole ring adopts an envelope conformation, with the N atom displaced by 0.672 (2) Å from the plane of the other ring atoms. The thio­phene ring is oriented with respect to the succinimide and phenyl rings at dihedral angles of 40.03 (12) and 5.21 (13)°, respectively. The dihedral angle between the succinimide and phenyl rings is 39.38 (12)°. International Union of Crystallography 2008-07-05 /pmc/articles/PMC2962057/ /pubmed/21203142 http://dx.doi.org/10.1107/S1600536808020102 Text en © Odabaşoğlu 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
Odabaşoğlu, Mustafa
Özkan, Hamdi
Yıldırır, Yılmaz
Büyükgüngör, Orhan
(3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
title (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
title_full (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
title_fullStr (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
title_full_unstemmed (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
title_short (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
title_sort (3r,3as,6ar)-2,5-dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962057/
https://www.ncbi.nlm.nih.gov/pubmed/21203142
http://dx.doi.org/10.1107/S1600536808020102
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