Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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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Bibliographic Details
Main Authors: M. S. Krishnamurthy, Noor Shahina Begum
Format: Article
Language:English
Published: International Union of Crystallography 2015-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
ester
pyrimidine
hydrogen bonding
3,4-dihydropyrimidin-2(1H)-one
therapeutic properties
pharmacological properties
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015015145
Description
Summary: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.
ISSN:2056-9890

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