(E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one
In the title compound, C14H11ClOS, the trans conformation of the C=C double bond in the central enone group is confirmed by the C—C=C—C torsion angle of 178.3 (4)°. The molecule is non-planar as seen by the dihedral angle of 22.6 (2)° between the chlorothiophene and the p-toluene rings. In the cryst...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-01-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314617000384 |
| _version_ | 1818913753378324480 |
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| author | Karthik Kumara S. Naveen M. G. Prabhudeva K. Ajay Kumar N. K. Lokanath Ismail Warad |
| author_facet | Karthik Kumara S. Naveen M. G. Prabhudeva K. Ajay Kumar N. K. Lokanath Ismail Warad |
| author_sort | Karthik Kumara |
| collection | DOAJ |
| description | In the title compound, C14H11ClOS, the trans conformation of the C=C double bond in the central enone group is confirmed by the C—C=C—C torsion angle of 178.3 (4)°. The molecule is non-planar as seen by the dihedral angle of 22.6 (2)° between the chlorothiophene and the p-toluene rings. In the crystal, molecules are linked by pairs of C—H...π interactions, forming inversion dimers. There are no other significant intermolecular interactions present. |
| first_indexed | 2024-12-19T23:35:30Z |
| format | Article |
| id | doaj.art-a60596a3c2d14cc18f92de1899cf0169 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-19T23:35:30Z |
| publishDate | 2017-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-a60596a3c2d14cc18f92de1899cf01692022-12-21T20:01:38ZengInternational Union of CrystallographyIUCrData2414-31462017-01-0121x17003810.1107/S2414314617000384su4122(E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-oneKarthik Kumara0S. Naveen1M. G. Prabhudeva2K. Ajay Kumar3N. K. Lokanath4Ismail Warad5Department of Studies in Physics, University of Mysore, Manasagangotri, Mysuru 570 006, IndiaInstitution of Excellence, University of Mysore, Manasagangotri, Mysuru 570 006, IndiaDepartment of Chemistry, Yuvaraja's College, University of Mysore, Mysuru 570 005, IndiaDepartment of Chemistry, Yuvaraja's College, University of Mysore, Mysuru 570 005, IndiaDepartment of Studies in Physics, University of Mysore, Manasagangotri, Mysuru 570 006, IndiaDepartment of Chemistry, Science College, An-Najah National University, PO Box 7, Nablus, West Bank, Palestinian TerritoriesIn the title compound, C14H11ClOS, the trans conformation of the C=C double bond in the central enone group is confirmed by the C—C=C—C torsion angle of 178.3 (4)°. The molecule is non-planar as seen by the dihedral angle of 22.6 (2)° between the chlorothiophene and the p-toluene rings. In the crystal, molecules are linked by pairs of C—H...π interactions, forming inversion dimers. There are no other significant intermolecular interactions present.http://scripts.iucr.org/cgi-bin/paper?S2414314617000384crystal structurechalconetrans conformationC—H...π interactions |
| spellingShingle | Karthik Kumara S. Naveen M. G. Prabhudeva K. Ajay Kumar N. K. Lokanath Ismail Warad (E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one IUCrData crystal structure chalcone trans conformation C—H...π interactions |
| title | (E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one |
| title_full | (E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one |
| title_fullStr | (E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one |
| title_full_unstemmed | (E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one |
| title_short | (E)-1-(5-Chlorothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one |
| title_sort | e 1 5 chlorothiophen 2 yl 3 p tolyl prop 2 en 1 one |
| topic | crystal structure chalcone trans conformation C—H...π interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314617000384 |
| work_keys_str_mv | AT karthikkumara e15chlorothiophen2yl3ptolylprop2en1one AT snaveen e15chlorothiophen2yl3ptolylprop2en1one AT mgprabhudeva e15chlorothiophen2yl3ptolylprop2en1one AT kajaykumar e15chlorothiophen2yl3ptolylprop2en1one AT nklokanath e15chlorothiophen2yl3ptolylprop2en1one AT ismailwarad e15chlorothiophen2yl3ptolylprop2en1one |