5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one
In the title molecule, C13H13ClN2O2, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups eac...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2008-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536808039366 |
| _version_ | 1818971297246347264 |
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| author | R. J. Butcher S. Chitra K. Pandiarajan A. Thiruvalluvar N. Anuradha |
| author_facet | R. J. Butcher S. Chitra K. Pandiarajan A. Thiruvalluvar N. Anuradha |
| author_sort | R. J. Butcher |
| collection | DOAJ |
| description | In the title molecule, C13H13ClN2O2, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, intermolecular N—H...O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation. |
| first_indexed | 2024-12-20T14:50:08Z |
| format | Article |
| id | doaj.art-c22437a27d8d4edc8f10963542329517 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T14:50:08Z |
| publishDate | 2008-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-c22437a27d8d4edc8f109635423295172022-12-21T19:36:59ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-12-016412o2474o247510.1107/S16005368080393665-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-oneR. J. ButcherS. ChitraK. PandiarajanA. ThiruvalluvarN. AnuradhaIn the title molecule, C13H13ClN2O2, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, intermolecular N—H...O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation.http://scripts.iucr.org/cgi-bin/paper?S1600536808039366 |
| spellingShingle | R. J. Butcher S. Chitra K. Pandiarajan A. Thiruvalluvar N. Anuradha 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one Acta Crystallographica Section E |
| title | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
| title_full | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
| title_fullStr | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
| title_full_unstemmed | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
| title_short | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
| title_sort | 5 acetyl 4 2 chlorophenyl 6 methyl 3 4 dihydropyrimidin 2 1h one |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536808039366 |
| work_keys_str_mv | AT rjbutcher 5acetyl42chlorophenyl6methyl34dihydropyrimidin21hone AT schitra 5acetyl42chlorophenyl6methyl34dihydropyrimidin21hone AT kpandiarajan 5acetyl42chlorophenyl6methyl34dihydropyrimidin21hone AT athiruvalluvar 5acetyl42chlorophenyl6methyl34dihydropyrimidin21hone AT nanuradha 5acetyl42chlorophenyl6methyl34dihydropyrimidin21hone |