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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-3009190 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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