1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate

The title compound, C(28)H(24)N(4)O(4)·H(2)O, crystallizes with two organic mol­ecules and two solvent water mol­ecules in the asymmetric unit. The most obvious difference between the mol­ecules is the torsion angles between the isoxazole ring and the benzene and phenyl rings [47.0 (2)/56.4 (2) and...

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Autores principales: Gutierrez, Margarita, Vallejos, Gabriel, Fernández, Carlos, Cárdenas, Alejandro, Brito, Iván
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050245/
https://www.ncbi.nlm.nih.gov/pubmed/21522681
http://dx.doi.org/10.1107/S1600536810052463
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author Gutierrez, Margarita
Vallejos, Gabriel
Fernández, Carlos
Cárdenas, Alejandro
Brito, Iván
author_facet Gutierrez, Margarita
Vallejos, Gabriel
Fernández, Carlos
Cárdenas, Alejandro
Brito, Iván
author_sort Gutierrez, Margarita
collection PubMed
description The title compound, C(28)H(24)N(4)O(4)·H(2)O, crystallizes with two organic mol­ecules and two solvent water mol­ecules in the asymmetric unit. The most obvious difference between the mol­ecules is the torsion angles between the isoxazole ring and the benzene and phenyl rings [47.0 (2)/56.4 (2) and 33.3 (2)/11.0 (2)°, respectively]. Another important difference is observed in the rotation of the nitro group with respect to the phenyl groups [3.5 (6) and 31.1 (6)°]. The pyrrolidinone fragment is cis oriented with respect to the 4-nitro­phenyl fragment. In the crystal, mol­ecules are linked into centrosymmetric R (4) (2)(8) and R (4) (4)(20) motifs by O—H⋯O and N—H⋯O inter­actions.
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spelling pubmed-30502452011-04-26 1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate Gutierrez, Margarita Vallejos, Gabriel Fernández, Carlos Cárdenas, Alejandro Brito, Iván Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(28)H(24)N(4)O(4)·H(2)O, crystallizes with two organic mol­ecules and two solvent water mol­ecules in the asymmetric unit. The most obvious difference between the mol­ecules is the torsion angles between the isoxazole ring and the benzene and phenyl rings [47.0 (2)/56.4 (2) and 33.3 (2)/11.0 (2)°, respectively]. Another important difference is observed in the rotation of the nitro group with respect to the phenyl groups [3.5 (6) and 31.1 (6)°]. The pyrrolidinone fragment is cis oriented with respect to the 4-nitro­phenyl fragment. In the crystal, mol­ecules are linked into centrosymmetric R (4) (2)(8) and R (4) (4)(20) motifs by O—H⋯O and N—H⋯O inter­actions. International Union of Crystallography 2010-12-18 /pmc/articles/PMC3050245/ /pubmed/21522681 http://dx.doi.org/10.1107/S1600536810052463 Text en © Gutierrez et al. 2011 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
Gutierrez, Margarita
Vallejos, Gabriel
Fernández, Carlos
Cárdenas, Alejandro
Brito, Iván
1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate
title 1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate
title_full 1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate
title_fullStr 1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate
title_full_unstemmed 1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate
title_short 1-[2-(4-Nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate
title_sort 1-[2-(4-nitro­phen­yl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050245/
https://www.ncbi.nlm.nih.gov/pubmed/21522681
http://dx.doi.org/10.1107/S1600536810052463
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