(2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate

The title hydrate, C(27)H(23)NO(2)·H(2)O, features an almost planar quinoline residue (r.m.s. deviation = 0.015 Å) with the benzene [dihedral angle = 63.80 (7) °] and chalcone [C—C—C—O torsion angle = −103.38 (18)°] substituents twisted significantly out of its plane. The configuration about the C=C...

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Detalles Bibliográficos
Autores principales: Sarveswari, S., Vijayakumar, V., Prasath, R., Narasimhamurthy, T., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011764/
https://www.ncbi.nlm.nih.gov/pubmed/21589564
http://dx.doi.org/10.1107/S1600536810048026
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author Sarveswari, S.
Vijayakumar, V.
Prasath, R.
Narasimhamurthy, T.
Tiekink, Edward R. T.
author_facet Sarveswari, S.
Vijayakumar, V.
Prasath, R.
Narasimhamurthy, T.
Tiekink, Edward R. T.
author_sort Sarveswari, S.
collection PubMed
description The title hydrate, C(27)H(23)NO(2)·H(2)O, features an almost planar quinoline residue (r.m.s. deviation = 0.015 Å) with the benzene [dihedral angle = 63.80 (7) °] and chalcone [C—C—C—O torsion angle = −103.38 (18)°] substituents twisted significantly out of its plane. The configuration about the C=C bond [1.340 (2) Å] is E. In the crystal, mol­ecules related by the 2(1) symmetry operation are linked along the b axis via water mol­ecules that form O—H⋯O(c) and O—H⋯N(q) hydrogen bonds (c = carbonyl and q = quinoline). A C—H⋯O inter­action also occurs.
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spelling pubmed-30117642010-12-30 (2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate Sarveswari, S. Vijayakumar, V. Prasath, R. Narasimhamurthy, T. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title hydrate, C(27)H(23)NO(2)·H(2)O, features an almost planar quinoline residue (r.m.s. deviation = 0.015 Å) with the benzene [dihedral angle = 63.80 (7) °] and chalcone [C—C—C—O torsion angle = −103.38 (18)°] substituents twisted significantly out of its plane. The configuration about the C=C bond [1.340 (2) Å] is E. In the crystal, mol­ecules related by the 2(1) symmetry operation are linked along the b axis via water mol­ecules that form O—H⋯O(c) and O—H⋯N(q) hydrogen bonds (c = carbonyl and q = quinoline). A C—H⋯O inter­action also occurs. International Union of Crystallography 2010-11-24 /pmc/articles/PMC3011764/ /pubmed/21589564 http://dx.doi.org/10.1107/S1600536810048026 Text en © Sarveswari 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
Sarveswari, S.
Vijayakumar, V.
Prasath, R.
Narasimhamurthy, T.
Tiekink, Edward R. T.
(2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title (2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_full (2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_fullStr (2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_full_unstemmed (2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_short (2E)-3-(4-Eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_sort (2e)-3-(4-eth­oxy­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011764/
https://www.ncbi.nlm.nih.gov/pubmed/21589564
http://dx.doi.org/10.1107/S1600536810048026
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AT narasimhamurthyt 2e34ethoxyphenyl12methyl4phenylquinolin3ylprop2en1onemonohydrate
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