Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The title compound, C14H15FN2O2S, crystallizes with two molecules in the asymmetric unit. In each molecule, the pyrimidine ring adopts a sofa conformation with the sp3-hybridized C atom forming the flap and the fluoro-substituted ring in an axial position. In the crystal, molecules are linked via N—...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015015145 |
| _version_ | 1819002395937472512 |
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| author | M. S. Krishnamurthy Noor Shahina Begum |
| author_facet | M. S. Krishnamurthy Noor Shahina Begum |
| author_sort | M. S. Krishnamurthy |
| collection | DOAJ |
| description | The title compound, C14H15FN2O2S, crystallizes with two molecules in the asymmetric unit. In each molecule, the pyrimidine ring adopts a sofa conformation with the sp3-hybridized C atom forming the flap and the fluoro-substituted ring in an axial position. In the crystal, molecules are linked via N—H...S hydrogen bonds, forming chains of R22(8) rings along [100]. In one independent molecule, an intramolecular C—H...O hydrogen bond is observed. |
| first_indexed | 2024-12-20T23:04:26Z |
| format | Article |
| id | doaj.art-5ecb9c9069c84a329315b711934a52b6 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T23:04:26Z |
| publishDate | 2015-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-5ecb9c9069c84a329315b711934a52b62022-12-21T19:23:55ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-10-017110o699o70010.1107/S2056989015015145lh5781Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylateM. S. Krishnamurthy0Noor Shahina Begum1Department of Studies in Chemistry, Central College Campus, Bangalore University, Bangalore 560 001, Karnataka, IndiaDepartment of Studies in Chemistry, Central College Campus, Bangalore University, Bangalore 560 001, Karnataka, IndiaThe title compound, C14H15FN2O2S, crystallizes with two molecules in the asymmetric unit. In each molecule, the pyrimidine ring adopts a sofa conformation with the sp3-hybridized C atom forming the flap and the fluoro-substituted ring in an axial position. In the crystal, molecules are linked via N—H...S hydrogen bonds, forming chains of R22(8) rings along [100]. In one independent molecule, an intramolecular C—H...O hydrogen bond is observed.http://scripts.iucr.org/cgi-bin/paper?S2056989015015145crystal structureesterpyrimidinehydrogen bonding3,4-dihydropyrimidin-2(1H)-onetherapeutic propertiespharmacological properties |
| spellingShingle | M. S. Krishnamurthy Noor Shahina Begum Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Crystallographica Section E: Crystallographic Communications crystal structure ester pyrimidine hydrogen bonding 3,4-dihydropyrimidin-2(1H)-one therapeutic properties pharmacological properties |
| title | Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full | Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_fullStr | Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full_unstemmed | Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_short | Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_sort | crystal structure of ethyl 4 2 fluorophenyl 6 methyl 2 sulfanylidene 1 2 3 4 tetrahydropyrimidine 5 carboxylate |
| topic | crystal structure ester pyrimidine hydrogen bonding 3,4-dihydropyrimidin-2(1H)-one therapeutic properties pharmacological properties |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015015145 |
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