10-(4-Chloro-phen-yl)-14a-hy-droxy-12-methyl-8,9,9a,10,12,13,14,14a-octa-hydro-5H-10a,14-methano-indeno-[2',1':4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione.

ABSTRACT: The asymmetric unit of the title compound, C26H25ClN2O3, contains two independent mol-ecules (A and B). The conformation of the two mol-ecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47?(10) in A and by 31.75?(11)° in B. In both mol-ecules, the six-membered piperidin-3-one rings have chair conformations. In mol-ecule A, all four five-membered rings have twist conformations. In mol-ecule B, only three of the four five-membered rings have twist conformations. The fourth, of the inden-1-one moiety, has an envelope conformation with the spiro C atom, bonded to the N atom of the pyrrolidine ring, as the flap. A weak intra-molecular O-H?N hydrogen bond occurs in each independent mol-ecule while a C-H?O inter-action is also observed in mol-ecule A. In the crystal, pairs of O-H?O hydrogen bonds link the mol-ecules, forming inversion dimers with graph-set motif R 2 (2)(12). These dimers are further inter-connected by C-H?O and C-H?? inter-actions, forming a three-dimensional network.

SUBMITTER: Nagalakshmi RA 

PROVIDER: S-EPMC3914117 | biostudies-other | 2014 Jan

REPOSITORIES: biostudies-other