2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione

The crystal structure of the title compound, C(12)H(14)N(2)O(3)S, exhibits intra­molecular C—H⋯S and inter­molecular C—H⋯S, C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 2.980 (2) Å, C—S⋯N = 145.78 (17)°] and C—H⋯π inter­actions; these inter­actions generate two C(5) chains and S(4), S(6) and R (4) (4)(28) 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:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961365/
https://www.ncbi.nlm.nih.gov/pubmed/21202616
http://dx.doi.org/10.1107/S1600536808012993
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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(12)H(14)N(2)O(3)S, exhibits intra­molecular C—H⋯S and inter­molecular C—H⋯S, C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 2.980 (2) Å, C—S⋯N = 145.78 (17)°] and C—H⋯π inter­actions; these inter­actions generate two C(5) chains and S(4), S(6) and R (4) (4)(28) ring motifs. The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms. The dihedral angle between the succinimide and thio­phene rings is 46.8 (2)°.
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spelling pubmed-29613652010-12-30 2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-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(12)H(14)N(2)O(3)S, exhibits intra­molecular C—H⋯S and inter­molecular C—H⋯S, C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 2.980 (2) Å, C—S⋯N = 145.78 (17)°] and C—H⋯π inter­actions; these inter­actions generate two C(5) chains and S(4), S(6) and R (4) (4)(28) ring motifs. The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms. The dihedral angle between the succinimide and thio­phene rings is 46.8 (2)°. International Union of Crystallography 2008-05-17 /pmc/articles/PMC2961365/ /pubmed/21202616 http://dx.doi.org/10.1107/S1600536808012993 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
2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione
title 2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione
title_full 2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione
title_fullStr 2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione
title_full_unstemmed 2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione
title_short 2,5-Dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione
title_sort 2,5-dimethyl-3-(3-methyl­thio­phen-2-yl)perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961365/
https://www.ncbi.nlm.nih.gov/pubmed/21202616
http://dx.doi.org/10.1107/S1600536808012993
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AT ozkanhamdi 25dimethyl33methylthiophen2ylperhydropyrrolo34disoxazole46dione
AT yıldırıryılmaz 25dimethyl33methylthiophen2ylperhydropyrrolo34disoxazole46dione
AT buyukgungororhan 25dimethyl33methylthiophen2ylperhydropyrrolo34disoxazole46dione

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