Ethyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The asymmetric unit of the title compound, C20H18F2N2O2S, contains four independent molecules, two of which are paired into a dimer by way of two N—H...S hydrogen bonds. The other two independent molecules are paired into two centrosymmetric dimers via pairs of intermolecular N&...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-05-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053680901232X |
| _version_ | 1818489264027992064 |
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| author | B. Kalluraya M. Babu Samuel Robinson Jebas Hoong-Kun Fun |
| author_facet | B. Kalluraya M. Babu Samuel Robinson Jebas Hoong-Kun Fun |
| author_sort | B. Kalluraya |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C20H18F2N2O2S, contains four independent molecules, two of which are paired into a dimer by way of two N—H...S hydrogen bonds. The other two independent molecules are paired into two centrosymmetric dimers via pairs of intermolecular N—H...S hydrogen bonds. In one molecule, the carboxylate O atoms, methylene and methyl groups attached to the benzene ring are disordered between two positions in a 0.908 (3):0.092 (3) ratio. In two of the independent molecules, the F and H atoms of the diflourophenyl ring are flip-flop disordered (i.e. by 180° about the C—C bond axis linking the ring to the rest of the molecule) in a 3:2 ratio. The crystal packing is stabilized by weak intermolecular C—H...O hydrogen bonds. |
| first_indexed | 2024-12-10T17:01:54Z |
| format | Article |
| id | doaj.art-b4e661176f814db3969028c19596158d |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-10T17:01:54Z |
| publishDate | 2009-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-b4e661176f814db3969028c19596158d2022-12-22T01:40:33ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-05-01655o981o98210.1107/S160053680901232XEthyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateB. KallurayaM. BabuSamuel Robinson JebasHoong-Kun FunThe asymmetric unit of the title compound, C20H18F2N2O2S, contains four independent molecules, two of which are paired into a dimer by way of two N—H...S hydrogen bonds. The other two independent molecules are paired into two centrosymmetric dimers via pairs of intermolecular N—H...S hydrogen bonds. In one molecule, the carboxylate O atoms, methylene and methyl groups attached to the benzene ring are disordered between two positions in a 0.908 (3):0.092 (3) ratio. In two of the independent molecules, the F and H atoms of the diflourophenyl ring are flip-flop disordered (i.e. by 180° about the C—C bond axis linking the ring to the rest of the molecule) in a 3:2 ratio. The crystal packing is stabilized by weak intermolecular C—H...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S160053680901232X |
| spellingShingle | B. Kalluraya M. Babu Samuel Robinson Jebas Hoong-Kun Fun Ethyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Crystallographica Section E |
| title | Ethyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full | Ethyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_fullStr | Ethyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full_unstemmed | Ethyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_short | Ethyl 4-(2,4-difluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_sort | ethyl 4 2 4 difluorophenyl 6 methyl 1 phenyl 2 thioxo 1 2 3 4 tetrahydropyrimidine 5 carboxylate |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053680901232X |
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