Date Published: June 01, 2010
Publisher: International Union of Crystallography
Author(s): Gang Huang, Xing Yan Xu, Xiang Chao Zeng, Le Zheng, Kai Ping Li.
The title compound, C13H14N2O3·0.5H2O, was synthesized by the condensation of methyl 3-aminopropionate with 3-trichloroacetylindole. The two organic molecules 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 molecule A and 0.006 (1) Å for molecule B. Also, the five- and six-membered rings of the indole systems are inclined at 1.67 (8) and 1.50 (8)° in molecules A and B, respectively. In the crystal structure, the organic molecules are connected by intermolecular N—H⋯O hydrogen bonds, forming chains. O—H⋯O and N—H⋯O hydrogen-bond interactions involving the water molecules interlink these chains, forming double chains approximately parallel to the a axis.
For the bioactivity of indole derivatives, see: Fabio et al. (2007 ▶); Sharma et al. (2004 ▶). For related structures, see: Huang et al. (2009 ▶); Siddiquee et al. (2009 ▶). For reference structural data, see Allen et al. (1987 ▶).