Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxyl-ate.

ABSTRACT: The title compound, C(20)H(22)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both mol-ecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6?(4)/40.3?(5) and 75.9?(5)/58.6?(7)° with the neighbouring benzene rings. The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685?(14) and 0.498?(13)?Å. The eth-oxy-carbonyl groups show conformational difference between two mol-ecules, as reflected in the orientation of the carbonyl O atoms and the C-C-O-C torsion angle of -179.0?(2)° in one mol-ecule and 73.2?(2)° in the other. In one molecule there is a short N-H?O contact that generates an S(5) ring motif. In the crystal, N-H?O inter-actions generate R(2) (2)(8) graph-set motifs and C-H?O inter-actions generate R(2) (2)(10) and R(2) (2)(14) graph-set motifs. C-H?? inter-actions also occur.

SUBMITTER: Jagadeesan G 

PROVIDER: S-EPMC3344629 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature