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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.

ABSTRACT: The mol-ecule 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 dihydro-pyran 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 mol-ecular structure is stabilized by weak C-H?O hydrogen bonds and C-H?? inter-actions. In the crystal, pairs of mol-ecules 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.

SUBMITTER: Chinnakali K

PROVIDER: S-EPMC2971200 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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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.

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

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

The mol-ecule 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 dihydro-pyran 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 mo ...[more]

PMID: 21578488

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