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1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione
The molecule of the title compound, C(31)H(31)N(3)O(5)S, adopts a folded conformation, with the sulfonyl-bound phenyl ring lying over the pyrimidine ring [dihedral angle = 12.04 (6)° and centroid–centroid separation = 3.6986 (8) Å]. The pyrrolidine ring adopts a twist conformation, the dihydropyra...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971200/ https://www.ncbi.nlm.nih.gov/pubmed/21578488 http://dx.doi.org/10.1107/S1600536809044341 |
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author | Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun |
author_facet | Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun |
author_sort | Chinnakali, K. |
collection | PubMed |
description | The molecule of the title compound, C(31)H(31)N(3)O(5)S, adopts a folded conformation, with the sulfonyl-bound phenyl ring lying over the pyrimidine ring [dihedral angle = 12.04 (6)° and centroid–centroid separation = 3.6986 (8) Å]. The pyrrolidine ring adopts a twist conformation, the dihydropyran ring is in a half-chair conformation and the two rings are cis-fused. The tosyl group is attached to the pyrrolidine ring in an equatorial position while the benzyl group is axially attached. The molecular structure is stabilized by weak C—H⋯O hydrogen bonds and C—H⋯π interactions. In the crystal, pairs of molecules related by inversion symmetry are linked by C—H⋯O hydrogen bonds, forming chains propagating along the c axis which are cross-linked into a three-dimensional framework by further C—H⋯O links. |
format | Text |
id | pubmed-2971200 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29712002010-12-30 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the title compound, C(31)H(31)N(3)O(5)S, adopts a folded conformation, with the sulfonyl-bound phenyl ring lying over the pyrimidine ring [dihedral angle = 12.04 (6)° and centroid–centroid separation = 3.6986 (8) Å]. The pyrrolidine ring adopts a twist conformation, the dihydropyran ring is in a half-chair conformation and the two rings are cis-fused. The tosyl group is attached to the pyrrolidine ring in an equatorial position while the benzyl group is axially attached. The molecular structure is stabilized by weak C—H⋯O hydrogen bonds and C—H⋯π interactions. In the crystal, pairs of molecules related by inversion symmetry are linked by C—H⋯O hydrogen bonds, forming chains propagating along the c axis which are cross-linked into a three-dimensional framework by further C—H⋯O links. International Union of Crystallography 2009-10-28 /pmc/articles/PMC2971200/ /pubmed/21578488 http://dx.doi.org/10.1107/S1600536809044341 Text en © Chinnakali et al. 2009 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 Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione |
title | 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione |
title_full | 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione |
title_fullStr | 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione |
title_full_unstemmed | 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione |
title_short | 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione |
title_sort | 1-benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971200/ https://www.ncbi.nlm.nih.gov/pubmed/21578488 http://dx.doi.org/10.1107/S1600536809044341 |
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