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

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⋯π interactions involving a methylene group of the pyran ring and the C-attached benzene ring on the pyrazole ring.

In the central aza-bicyclooctane unit of the title compound, C 40 H 34 N 4 O 3 Á0.75H 2 O, 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 À0.218 (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-HÁ Á ÁN and O-HÁ Á ÁO hydrogen bonds. The crystal packing is further stabilized by C-HÁ Á Á interactions involving a methylene group of the pyran ring and the C-attached benzene ring on the pyrazole ring.
Cg1 is the centroid of the C1-C6 ring.  Pyrazole derivatives in general are well known nitrogen containing heterocyclic compounds and have been the subject of enormous research due to their importance in various applications and their widespread potential biological and pharmacological activities such as antimicrobial (Mahajan et al., 1991), antiviral (Baraldi et al., 1998), antitumor (Katayama & Oshiyama, 1997 and antifungal activities (Chen & Li, 1998).

Experimental
A mixture of allyl isatin (1.05 mmol), sarcosine (1.1 mmol) and dipolarophile (1.0 mmol) in ethanol was refluxed for 85 minute and cooled to room temperature. Then the mixture was poured into a beaker containing crushed ice and the solid formed in the mixture was filtered, dried and recrystallized from ethanol to obtain the pure product in good yield 89%.

Refinement
Hydrogen atoms were placed in calculated positions with C-H = 0.93 to 0.98 Å refined in the riding model with fixed isotropic displacement parameters: U iso (H) = 1.2 U eq (C). The water H atoms were located in a difference map and refined with distance restraints of O-H = 0.90 (1) Å. The solvent water molecule is partially occupied, with an occupancy factor of 0.75.

Special details
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq Occ.