1'-(1,3-Diphenyl-1H-pyrazol-4-yl)-1''-(prop-2-en-1-yl)-2',3',5',6',7',7a'-hexa-hydro-1'H-di-spiro-[1-benzo-pyran-3,2'-pyrrolizine-3',3''-indoline]-2'',4-dione 0.75-hydrate.

ABSTRACT: In the central aza-bi-cyclo-octane 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 mol-ecule has a partial occupancy of 0.75. In the crystal, the water mol-ecules link the fused-ring mol-ecules 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?? inter-actions involving a methyl-ene group of the pyran ring and the C-attached benzene ring on the pyrazole ring.

SUBMITTER: Jagadeesan G 

PROVIDER: S-EPMC3793707 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature