Abstract
The title molecule, C12H12N2OS, is planar, with an r.m.s. deviation of 0.04 Å. In the crystal, the N atom adjacent to the carbonyl group is sp 2-hybridized. The crystal structure is stabilized by π–π stacking interactions observed between thiophene and pyrimidinone rings of c-glide-related molecules [centroid–centroid distance = 3.9554 (13) Å] and by C—H⋯π interactions, forming an infinite chain along the c-axis direction.
Highlights
The title molecule, C12H12N2OS, is planar, with an r.m.s. deviation of 0.04 A
The crystal structure is stabilized by – stacking interactions observed between thiophene and pyrimidinone rings of c-glide-related molecules [centroid–centroid distance = 3.9554 (13) A ] and by C—HÁ Á Á interactions, forming an infinite chain along the c-axis direction
Cg1 and Cg2 are the centroids of the S1/C2/C3/C3A/C9A and C3A/C4/N5/C8A/N9/C9A rings
Summary
The title molecule, C12H12N2OS, is planar, with an r.m.s. deviation of 0.04 A. The crystal structure is stabilized by – stacking interactions observed between thiophene and pyrimidinone rings of c-glide-related molecules [centroid–centroid distance = 3.9554 (13) A ] and by C—HÁ Á Á interactions, forming an infinite chain along the c-axis direction. For the synthesis of the title compound, see: Csukonyi et al (1986); Elmuradov et al (2011). See: Lilienkampf et al (2007); Moore et al (2006). For 1H NMR and IR spectroscopy of the title compound, see: Bozorov et al (2013). For the related structures of the thieno[2,3-d] pyrimidin-4-one derivatives, see; Lilienkampf et al (2007)
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