Methyl 2-{[(4-hydroxy-phen-yl)(methoxy-carbon-yl)meth-yl]amino-carbon-yl}ethano-ate hemihydrate.

ABSTRACT: In the structure of the title compound, C(13)H(15)NO(6)·0.5H(2)O, the water O atom lies on a twofold rotation axis. The methoxy-carbonyl-methyl and amino groups are essentially coplanar and the methoxy-carbonyl-methyl group makes a dihedral angle of 79.73?(10)° with the mean plane of the hydroxy-phenyl ring. The amino and methoxy-carbonyl-methyl groups are involved in an intra-molecular N-H?O hydrogen bond which generates an S(5) ring motif. In the crystal structure, mol-ecules are linked via N-H?O and O-H?O hydrogen bonds and weak C-H?O inter-actions into a two-dimensional network parallel to the (01) plane. The crystal structure is further stabilized by C-H?? inter-actions.

SUBMITTER: Mohammat MF 

PROVIDER: S-EPMC2961038 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature