Abstract
In the title compound, C14H14ClFN2O2S, the dihydropyrimidine ring adopts a shallow-boat conformation and subtends a dihedral angle of 81.91 (17)° with the phenyl ring. In the crystal, N—H...O, N—H...S and C—H...F hydrogen bonds and C—H...π interactions are found.
Highlights
The title compound is a dihydropyrimidine derivative (Kappe, 2000)
As part of our studies in this area, we describe the synthesis and structure of the title compound (Fig. 1)
The phenyl ring atttached to chiral atom C4 is positioned axially and bisects the pyrimidine ring with a dihedral angle of 81.91 (17)
Summary
The title compound is a dihydropyrimidine derivative (Kappe, 2000). Some of these compounds have therapeutic and pharmacological properties, such as anticarcinogenic (Mayer et al, 1999) activity. They have emerged as integral backbones of several calcium-channel modulators (Jauk et al, 2000). The pyrimidine ring adopts a shallow-boat conformation, with atoms N1 and C4 displaced from the mean plane of the other four atoms (C5/C6/C2/N2) by À0.0982 (7) and À0.0393 (1) A , respectively. The O atom of the carbonyl group is in an anti conformation with respect to the C5—C6 bond. The packing is consolidated by a C1— H1AÁ Á ÁF1iii interaction along the [110] direction (Fig. 3) and a C7—H7BÁ Á ÁCgiv interaction (Cg being the centroid of the C8–C13 ring), with a HÁ Á ÁCg distance of 2.62 A (Fig. 4)
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