Research Article: Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate

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.

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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 ▶).




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