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

The title compound, C(13)H(14)N(2)O(3)·0.5H(2)O, 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...

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Detalles Bibliográficos
Autores principales: Huang, Gang, Xu, Xing Yan, Zeng, Xiang Chao, Zheng, Le, Li, Kai Ping
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979597/
https://www.ncbi.nlm.nih.gov/pubmed/21579540
http://dx.doi.org/10.1107/S1600536810018015
Descripción
Sumario:The title compound, C(13)H(14)N(2)O(3)·0.5H(2)O, 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.