Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



ld2105 scheme

Acta Cryst. (2013). E69, o1194-o1195    [ doi:10.1107/S160053681301773X ]

1'-(1,3-Diphenyl-1H-pyrazol-4-yl)-1''-(prop-2-en-1-yl)-2',3',5',6',7',7a'-hexahydro-1'H-dispiro[1-benzopyran-3,2'-pyrrolizine-3',3''-indoline]-2'',4-dione 0.75-hydrate

G. Jagadeesan, D. Kathirvelan, J. Haribabu, B. S. R. Reddy and K. Sethusankar

Abstract: In the central aza-bicyclooctane unit of the title compound, C40H34N4O3·0.75H2O, the peripheral pyrrolidine ring adopts an envelope conformation with the N atom deviating by 0.209 (2) Å, whereas the other pyrrolidine ring adopts a twisted conformation with the bridging N and C atoms deviating by -0.218 (2) and 0.236 (3) Å, respectively, from the rest of the ring. The pyrazole ring forms dihedral angles of 42.36 (7) and 24.07 (8)° with its C- and N-attached phenyl groups, respectively. The solvent water molecule has a partial occupancy of 0.75. In the crystal, the water molecules link the fused-ring molecules into chains along the b axis via O-H...N and O-H...O hydrogen bonds. The crystal packing is further stabilized by C-H...[pi] interactions involving a methylene group of the pyran ring and the C-attached benzene ring on the pyrazole ring.


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