1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-deca-hydro-pyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione.

K Chinnakali,D Sudha,Hoong-Kun Fun,M Jayagobi,R Raghunathan

doi:10.1107/s1600536809044341

Abstract

The molecule of the title compound, C31H31N3O5S, 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.

Highlights

The molecule of the title compound, C31H31N3O5S, 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

Summary

Data collection a b

R factor = 0.043; wR factor = 0.127; data-to-parameter ratio = 21.7. The molecule of the title compound, C31H31N3O5S, 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 interactions. 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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