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(2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate
In the title ethanol solvate, C(29)H(20)Cl(2)N(2)O·C(2)H(5)OH, the quinolinyl residues form a dihedral angle of 46.41 (4)° with each other, and each is inclined [C(p)—C—C=O and C=C—C—C(p) (p = pyridyl) torsion angles = 54.8 (2) and 144.44 (19)°, respectively] with respect to the almost planar bridgi...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884470/ https://www.ncbi.nlm.nih.gov/pubmed/24427050 http://dx.doi.org/10.1107/S1600536813022022 |
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author | Prasath, R. Sarveswari, S. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Prasath, R. Sarveswari, S. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Prasath, R. |
collection | PubMed |
description | In the title ethanol solvate, C(29)H(20)Cl(2)N(2)O·C(2)H(5)OH, the quinolinyl residues form a dihedral angle of 46.41 (4)° with each other, and each is inclined [C(p)—C—C=O and C=C—C—C(p) (p = pyridyl) torsion angles = 54.8 (2) and 144.44 (19)°, respectively] with respect to the almost planar bridging prop-2-en-1-one residue [O=C—C=C torsion angle = −4.1 (3)°]. The ethanol solvent molecule is disordered over two positions of equal occupancy and is located close to a centre of inversion. These molecules reside in cavities defined by the organic molecules, which are connected into a three-dimensional architecture by C—H⋯Cl, C—H⋯O and C—H⋯N interactions, as well as π–π contacts [inter-centroid distances = 3.5853 (10) and 3.8268 (11) Å], each involving pyridyl rings. |
format | Online Article Text |
id | pubmed-3884470 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38844702014-01-14 (2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate Prasath, R. Sarveswari, S. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title ethanol solvate, C(29)H(20)Cl(2)N(2)O·C(2)H(5)OH, the quinolinyl residues form a dihedral angle of 46.41 (4)° with each other, and each is inclined [C(p)—C—C=O and C=C—C—C(p) (p = pyridyl) torsion angles = 54.8 (2) and 144.44 (19)°, respectively] with respect to the almost planar bridging prop-2-en-1-one residue [O=C—C=C torsion angle = −4.1 (3)°]. The ethanol solvent molecule is disordered over two positions of equal occupancy and is located close to a centre of inversion. These molecules reside in cavities defined by the organic molecules, which are connected into a three-dimensional architecture by C—H⋯Cl, C—H⋯O and C—H⋯N interactions, as well as π–π contacts [inter-centroid distances = 3.5853 (10) and 3.8268 (11) Å], each involving pyridyl rings. International Union of Crystallography 2013-08-14 /pmc/articles/PMC3884470/ /pubmed/24427050 http://dx.doi.org/10.1107/S1600536813022022 Text en © Prasath 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 Prasath, R. Sarveswari, S. Ng, Seik Weng Tiekink, Edward R. T. (2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
title | (2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
title_full | (2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
title_fullStr | (2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
title_full_unstemmed | (2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
title_short | (2E)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
title_sort | (2e)-3-(2-chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884470/ https://www.ncbi.nlm.nih.gov/pubmed/24427050 http://dx.doi.org/10.1107/S1600536813022022 |
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