4,4-Dimethyl-2-tosyl-1,2,3,3a,4,11b-hexa-hydro-11H-pyrrolo[3,4-c]pyrano[5,6-c]chromen-11-one 0.125-hydrate

• Published in: Acta crystallographica. Section E, Structure reports online Vol. 65; no. Pt 11; pp. o2943 - o2944
• Main Authors: Chinnakali, K, Sudha, D, Jayagobi, M, Raghunathan, R, Fun, Hoong-Kun
• Format: Journal Article
• Language: English
• Published: United States International Union of Crystallography 31.10.2009
• Subjects: Organic Papers
• ISSN: 1600-5368; 1600-5368
• DOI: 10.1107/S1600536809044730

In the title compound, C(23)H(23)NO(5)S·0.125H(2)O, the pyrrolidine ring has a twist conformation and the dihydro-pyran ring adopts a half-chair conformation; the two rings are cis-fused. The mol-ecule adopts a folded conformation. The sulfonyl-bound phenyl ring and the pyran ring of the coumarin ring system are stacked over one another, with a centroid-centroid distance of 3.7470 (7) Å; the dihedral angle between the two rings is 18.93 (2)°. An intra-molecular C-H⋯O hydrogen bond is observed. The solvent water mol-ecule, lying on a twofold rotation axis, is only partially occupied with an occupancy of 0.125 (relative occupancy with respect to the main molecule) and is involved in O-H⋯O and C-H⋯O hydrogen bonding.