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(2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one
Two independent but virtually identical molecules comprise the asymmetric unit in the title compound, C(18)H(15)NOS. With reference to the quinolin-3-yl group, the 3-(thiophen-2-yl)prop-2-en-1-one residue is almost perpendicular, with all but the carbonyl O atom lying to one side of the plane. Thi...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200943/ https://www.ncbi.nlm.nih.gov/pubmed/22065508 http://dx.doi.org/10.1107/S1600536811031485 |
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author | Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Prasath, R. |
collection | PubMed |
description | Two independent but virtually identical molecules comprise the asymmetric unit in the title compound, C(18)H(15)NOS. With reference to the quinolin-3-yl group, the 3-(thiophen-2-yl)prop-2-en-1-one residue is almost perpendicular, with all but the carbonyl O atom lying to one side of the plane. This conformation is reflected by the C—C—C—C torsion angles of −102.2 (3) and 81.1 (3)° in the two independent molecules. The dihedral angle formed between the 13 non-H atoms directly associated with the quinolin-3-yl group and the thiophen-2-yl ring is 87.70 (11)° [83.85 (10)° for the second independent molecule]. The presence of C—H⋯O, C—H⋯N and π–π interactions [centroid–centroid distance = 3.5590 (12) Å] lead to supramolecular chains along the c-axis direction. These are connected along the a-axis direction by C—H⋯π interactions. The resultant supramolecular layers stack along the b axis. |
format | Online Article Text |
id | pubmed-3200943 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32009432011-11-06 (2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two independent but virtually identical molecules comprise the asymmetric unit in the title compound, C(18)H(15)NOS. With reference to the quinolin-3-yl group, the 3-(thiophen-2-yl)prop-2-en-1-one residue is almost perpendicular, with all but the carbonyl O atom lying to one side of the plane. This conformation is reflected by the C—C—C—C torsion angles of −102.2 (3) and 81.1 (3)° in the two independent molecules. The dihedral angle formed between the 13 non-H atoms directly associated with the quinolin-3-yl group and the thiophen-2-yl ring is 87.70 (11)° [83.85 (10)° for the second independent molecule]. The presence of C—H⋯O, C—H⋯N and π–π interactions [centroid–centroid distance = 3.5590 (12) Å] lead to supramolecular chains along the c-axis direction. These are connected along the a-axis direction by C—H⋯π interactions. The resultant supramolecular layers stack along the b axis. International Union of Crystallography 2011-08-11 /pmc/articles/PMC3200943/ /pubmed/22065508 http://dx.doi.org/10.1107/S1600536811031485 Text en © Prasath 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 Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. (2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one |
title | (2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one
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title_full | (2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one
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title_fullStr | (2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one
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title_full_unstemmed | (2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one
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title_short | (2E)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one
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title_sort | (2e)-1-(2,4-dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200943/ https://www.ncbi.nlm.nih.gov/pubmed/22065508 http://dx.doi.org/10.1107/S1600536811031485 |
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