1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone
In the title compound, C13H14N2OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl group...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-09-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810031296 |
| _version_ | 1818913404223488000 |
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| author | N. Anuradha A. Thiruvalluvar S. Chitra K. Pandiarajan R. J. Butcher |
| author_facet | N. Anuradha A. Thiruvalluvar S. Chitra K. Pandiarajan R. J. Butcher |
| author_sort | N. Anuradha |
| collection | DOAJ |
| description | In the title compound, C13H14N2OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Intermolecular N—H...O, N—H...S and C—H...O hydrogen bonds are found in the crystal structure. |
| first_indexed | 2024-12-19T23:29:57Z |
| format | Article |
| id | doaj.art-6f1bb9ca742f42d48a1f4ec5b922bf15 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T23:29:57Z |
| publishDate | 2010-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-6f1bb9ca742f42d48a1f4ec5b922bf152022-12-21T20:01:46ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-09-01669o2280o228010.1107/S16005368100312961-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanoneN. AnuradhaA. ThiruvalluvarS. ChitraK. PandiarajanR. J. ButcherIn the title compound, C13H14N2OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Intermolecular N—H...O, N—H...S and C—H...O hydrogen bonds are found in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?S1600536810031296 |
| spellingShingle | N. Anuradha A. Thiruvalluvar S. Chitra K. Pandiarajan R. J. Butcher 1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone Acta Crystallographica Section E |
| title | 1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone |
| title_full | 1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone |
| title_fullStr | 1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone |
| title_full_unstemmed | 1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone |
| title_short | 1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone |
| title_sort | 1 6 methyl 4 phenyl 2 sulfanylidene 1 2 3 4 tetrahydropyrimidin 5 yl ethanone |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810031296 |
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