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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2979597 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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