Abstract
In the title compound, C14H14F4N2O3S, the hexahydropyrimidine ring adopts a half-chair conformation. The molecular conformation is stabilized by an intramolecular O—H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features O—H⋯S and N—H⋯S hydrogen bonds.
Highlights
In the title compound, C14H14F4N2O3S, the hexahydropyrimidine ring adopts a half-chair conformation
The molecular conformation is stabilized by an intramolecular O—
Derivatives, the title compound, an intermediate C14H14F4N2O3S (I) was isolated and the structure confirmed by X-ray diffraction
Summary
Min = 0.27 e Å3 a Institute of Surface Micro and Nano Materials, Xuchang University, Xuchang, Henan. Province 461000, People’s Republic of China, and bCollege of Chemistry and Chemical Engineering, Xuchang University, Xuchang, Henan Province 461000, People’s Republic of China. The molecular conformation is stabilized by an intramolecular O—. H O hydrogen bond, generating an S(6) ring. The crystal structure features O—H S and N—H S hydrogen bonds. Data collection: CrystalClear (Rigaku, 2009); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: CrystalStructure (Rigaku, 2009)
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