11-Hy-droxy-9-[1-(4-methyl-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-18-oxo-10-oxa-2-aza-penta-cyclo-[9.7.0.0(1,8).0(2,6).0(12,17)]octa-deca-12,14,16-triene-8-carbonitrile.

ABSTRACT: In the title compound, C33H29N3O5, the four-membered ring of the ?-lactam fragment is essentially planar (r.m.s. deviation = 0.0122?Å), with the carbonyl O atom displaced from this ring by 0.856?(9)?Å. The mean planes of the meth-oxy-phenyl and phenyl rings are inclined at dihedral angles 85.10?(7) and 21.56?(14)°, respectively, with respect to the mean plane of the four-membered ring. The pyrrolidine rings adopt envelope conformations with C atoms lying 0.535?(4) and 0.519?(4)?Å out of the planes formed by the remaining ring atoms. The furan ring also adopts an envelope conformation with a C atom 0.560?(3)?Å out of the plane formed by the remaining ring atoms. The nine-membered indene ring is almost planar (r.m.s. deviation = 0.0240?Å), with the carbonyl O atom displaced by 0.145?(3)?Å from this ring. The mol-ecular structure is stabilized by a strong intra-molecular O-H?N hydrogen bond and the crystal structure is consolidated by C-H?O hydrogen bonds.

SUBMITTER: Suhitha S 

PROVIDER: S-EPMC3588836 | biostudies-other | 2012 Dec

REPOSITORIES: biostudies-other