Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


organic compounds



tk5201 scheme

Acta Cryst. (2013). E69, o493-o494    [ doi:10.1107/S1600536813005825 ]

(6'R*,7'R*)-7'-(1,3,-Diphenyl-1H-pyrazol-4-yl)-1,2,5',6',7',7a',3'',4''-octahydro-1'H,2''H-dispiro[acenaphthylene-1,5'-pyrrolo[1,2-c][1,3]thiazole-6',3''-[1]benzopyran]-2,4''-dione

J. Murugan, J. Haribabu, B. S. R. Reddy, G. Rajarajan and S. Murugavel

Abstract: In the title compound, C40H29N3O3S, the pyran ring adopts a sofa conformation, the thiazolidine ring adopts a twisted conformation and the pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The pyrazole ring is essentially planar [maximum deviation = 0.002 (2) Å] and forms dihedral angles of 4.8 (1) and 39.0 (1)°, respectively, with the benzene rings attached to the N and C atoms. The acenapthylene ring system is approximately planar [maximum deviation = 0.058 (2) Å] and forms dihedral angles of 85.9 (1) and 48.5 (1)°, respectively, with the pyrollothiazole and chromene ring systems. The molecular conformation is stabilized by three weak intramolecular C-H...O hydrogen bonds, which generate one S(8) and two S(6) ring motifs. In the crystal, pairs of C-H...O hydrogen bonds link centrosymmetrically related molecules into dimers, generating R22(14) ring motifs. The crystal packing also features pairs of C-H...[pi] interactions, which link the dimers into a supramolecular chain along the b axis.


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