The title mol-ecule, 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 inter-actions observed between thio-phene and pyrimidinone rings of c-glide-related mol-ecules [centroid-centroid distance = 3.9554 (13) Å] and by C-H⋯π inter-actions, forming an infinite chain along the c-axis direction.
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| http://dx.doi.org/10.1107/S1600536813017935 | DOI Listing |
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5,6-Di-hydro-1,4-dithiine-2,3-di-carb-oxy-lic anhydride.
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Department of Chemistry and Physics, Southeast Missouri State University, Cape Girardeau, MO 63701, USA.
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Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai-600 025, Tamilnadu, India.
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School of Pharmacy, Anhui Medical University, Hefei, 230032, PR China; Inflammation and Immune Mediated Diseases Laboratory of Anhui Province, Hefei, PR China. Electronic address:
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