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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...

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Autores principales: Chinnakali, K., Sudha, D., Jayagobi, M., Raghunathan, R., Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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