Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate.

ABSTRACT: The title compound, C(13)H(14)N(2)O(3)·0.5H(2)O, was synthesized by the condensation of methyl 3-amino-propionate with 3-trichloro-acetyl-indole. The two organic mol-ecules in the asymmetric unit are both close to planar, with r.m.s. deviations from the best fit plane through all of the non-H atoms of 0.004?(2)?Å for mol-ecule A and 0.006?(1)?Å for mol-ecule B. Also, the five- and six-membered rings of the indole systems are inclined at 1.67?(8) and 1.50?(8)° in mol-ecules A and B, respectively. In the crystal structure, the organic molecules are connected by inter-molecular N-H?O hydrogen bonds, forming chains. O-H?O and N-H?O hydrogen-bond inter-actions involving the water molecules inter-link these chains, forming double chains approximately parallel to the a axis.

SUBMITTER: Huang G 

PROVIDER: S-EPMC2979597 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature