(6'R*,7'R*)-7'-(1,3,-Diphenyl-1H-pyrazol-4-yl)-1,2,5',6',7',7a',3'',4''-octa-hydro-1'H,2''H-dispiro-[acenaphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-[1]benzopyran]-2,4''-dione.

ABSTRACT: In the title compound, C40H29N3O3S, the pyran ring adopts a sofa conformation, the thia-zolidine 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 pyrollothia-zole and chromene ring systems. The mol-ecular conformation is stabilized by three weak intra-molecular 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 mol-ecules into dimers, generating R 2 (2)(14) ring motifs. The crystal packing also features pairs of C-H?? inter-actions, which link the dimers into a supra-molecular chain along the b axis.

SUBMITTER: Murugan J 

PROVIDER: S-EPMC3629526 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature