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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
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author Huang, Gang
Xu, Xing Yan
Zeng, Xiang Chao
Zheng, Le
Li, Kai Ping
author_facet Huang, Gang
Xu, Xing Yan
Zeng, Xiang Chao
Zheng, Le
Li, Kai Ping
author_sort Huang, Gang
collection PubMed
description 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.
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spelling pubmed-29795972010-12-30 Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate Huang, Gang Xu, Xing Yan Zeng, Xiang Chao Zheng, Le Li, Kai Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2010-05-26 /pmc/articles/PMC2979597/ /pubmed/21579540 http://dx.doi.org/10.1107/S1600536810018015 Text en © Huang et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Huang, Gang
Xu, Xing Yan
Zeng, Xiang Chao
Zheng, Le
Li, Kai Ping
Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate
title Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate
title_full Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate
title_fullStr Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate
title_full_unstemmed Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate
title_short Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate
title_sort methyl 3-(1h-indole-3-carboxamido)propionate hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979597/
https://www.ncbi.nlm.nih.gov/pubmed/21579540
http://dx.doi.org/10.1107/S1600536810018015
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