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

The title hydrate, C(26)H(21)NO·H(2)O, exhibits significant twists of the benzene ring [dihedral angle = 87.24 (6)°] and chalcone residue [C—C—C—C torsion angle = −94.46 (17)°] out of the plane through the quinoline ring system. The conformation about the C=C bond [1.341 (2) Å] is E. The solvent wat...

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Autores principales: Prasath, R., Sarveswari, S., Vijayakumar, V., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009190/
https://www.ncbi.nlm.nih.gov/pubmed/21588924
http://dx.doi.org/10.1107/S1600536810038791
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author Prasath, R.
Sarveswari, S.
Vijayakumar, V.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Prasath, R.
Sarveswari, S.
Vijayakumar, V.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Prasath, R.
collection PubMed
description The title hydrate, C(26)H(21)NO·H(2)O, exhibits significant twists of the benzene ring [dihedral angle = 87.24 (6)°] and chalcone residue [C—C—C—C torsion angle = −94.46 (17)°] out of the plane through the quinoline ring system. The conformation about the C=C bond [1.341 (2) Å] is E. The solvent water mol­ecule forms hydrogen bonds to carbonyl O and quinoline N atoms derived from two mol­ecules and through the application of a centre of inversion, a 16-membered {⋯HOH⋯OC(3)N}(2) synthon is formed to stabilize the resulting tetra­meric (two organic mol­ecules plus two water mol­ecules) aggregate. These are connected into a two-dimensional array via two C—H⋯O contacts, also involving the water mol­ecule. The layers stack along the c axis, being linked by C—H⋯π inter­actions.
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spelling pubmed-30091902010-12-30 (2E)-3-(4-Methyl­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate Prasath, R. Sarveswari, S. Vijayakumar, V. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title hydrate, C(26)H(21)NO·H(2)O, exhibits significant twists of the benzene ring [dihedral angle = 87.24 (6)°] and chalcone residue [C—C—C—C torsion angle = −94.46 (17)°] out of the plane through the quinoline ring system. The conformation about the C=C bond [1.341 (2) Å] is E. The solvent water mol­ecule forms hydrogen bonds to carbonyl O and quinoline N atoms derived from two mol­ecules and through the application of a centre of inversion, a 16-membered {⋯HOH⋯OC(3)N}(2) synthon is formed to stabilize the resulting tetra­meric (two organic mol­ecules plus two water mol­ecules) aggregate. These are connected into a two-dimensional array via two C—H⋯O contacts, also involving the water mol­ecule. The layers stack along the c axis, being linked by C—H⋯π inter­actions. International Union of Crystallography 2010-10-02 /pmc/articles/PMC3009190/ /pubmed/21588924 http://dx.doi.org/10.1107/S1600536810038791 Text en © Prasath 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
Prasath, R.
Sarveswari, S.
Vijayakumar, V.
Ng, Seik Weng
Tiekink, Edward R. T.
(2E)-3-(4-Methyl­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title (2E)-3-(4-Methyl­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_full (2E)-3-(4-Methyl­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_fullStr (2E)-3-(4-Methyl­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_full_unstemmed (2E)-3-(4-Methyl­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_short (2E)-3-(4-Methyl­phen­yl)-1-(2-methyl-4-phenyl­quinolin-3-yl)prop-2-en-1-one monohydrate
title_sort (2e)-3-(4-methyl­phen­yl)-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/PMC3009190/
https://www.ncbi.nlm.nih.gov/pubmed/21588924
http://dx.doi.org/10.1107/S1600536810038791
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