Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate

The asymmetric unit of the title compound, C(14)H(17)NO(4)·1.25H(2)O, consists of four substituted pyrrolidone mol­ecules (two pairs of enanti­omers) and five water mol­ecules. The five-membered rings each have an envelope conformation, with the C atom bonded to the ester group as the flap. The mean...

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Autores principales: Mansor, Nurul Shulehaf, Mohammat, Mohd Fazli, Shaameri, Zurina, Khaledi, Hamid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569816/
https://www.ncbi.nlm.nih.gov/pubmed/23424562
http://dx.doi.org/10.1107/S1600536813001943
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author Mansor, Nurul Shulehaf
Mohammat, Mohd Fazli
Shaameri, Zurina
Khaledi, Hamid
author_facet Mansor, Nurul Shulehaf
Mohammat, Mohd Fazli
Shaameri, Zurina
Khaledi, Hamid
author_sort Mansor, Nurul Shulehaf
collection PubMed
description The asymmetric unit of the title compound, C(14)H(17)NO(4)·1.25H(2)O, consists of four substituted pyrrolidone mol­ecules (two pairs of enanti­omers) and five water mol­ecules. The five-membered rings each have an envelope conformation, with the C atom bonded to the ester group as the flap. The mean planes of the five-membered rings of the four pyrrolidone mol­ecules make dihedral angles of 60.87 (5), 64.45 (5), 62.03 (5) and 65.79 (5)° with respect to the phenyl rings. In the crystal, the pyrrolidone and water mol­ecules are connected through O—H⋯O hydrogen bonds, forming a layer parallel to the ab plane. The two-dimensional network is further stabilized by inter­molecular C—H⋯O hydrogen bonds.
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spelling pubmed-35698162013-02-19 Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate Mansor, Nurul Shulehaf Mohammat, Mohd Fazli Shaameri, Zurina Khaledi, Hamid Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(14)H(17)NO(4)·1.25H(2)O, consists of four substituted pyrrolidone mol­ecules (two pairs of enanti­omers) and five water mol­ecules. The five-membered rings each have an envelope conformation, with the C atom bonded to the ester group as the flap. The mean planes of the five-membered rings of the four pyrrolidone mol­ecules make dihedral angles of 60.87 (5), 64.45 (5), 62.03 (5) and 65.79 (5)° with respect to the phenyl rings. In the crystal, the pyrrolidone and water mol­ecules are connected through O—H⋯O hydrogen bonds, forming a layer parallel to the ab plane. The two-dimensional network is further stabilized by inter­molecular C—H⋯O hydrogen bonds. International Union of Crystallography 2013-01-26 /pmc/articles/PMC3569816/ /pubmed/23424562 http://dx.doi.org/10.1107/S1600536813001943 Text en © Mansor et al. 2013 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
Mansor, Nurul Shulehaf
Mohammat, Mohd Fazli
Shaameri, Zurina
Khaledi, Hamid
Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate
title Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate
title_full Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate
title_fullStr Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate
title_full_unstemmed Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate
title_short Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate
title_sort ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569816/
https://www.ncbi.nlm.nih.gov/pubmed/23424562
http://dx.doi.org/10.1107/S1600536813001943
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AT shaamerizurina ethyl4hydroxy1methyl5oxo2phenylpyrrolidine3carboxylate125hydrate
AT khaledihamid ethyl4hydroxy1methyl5oxo2phenylpyrrolidine3carboxylate125hydrate

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