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2,3-Tri-methyl-ene-7,8-di-hydro-pyrrolo-[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one.

ABSTRACT: 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 ?-? 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?? inter-actions, forming an infinite chain along the c-axis direction.

SUBMITTER: Bozorov K

PROVIDER: S-EPMC3793729 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2,3-Tri-methyl-ene-7,8-di-hydro-pyrrolo-[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one.

Bozorov Khurshed K Elmuradov Burkhon B Shakhidoyatov Khusnutdin K Aisa Haji Akber HA Tashkhodjaev Bakhodir B

Acta crystallographica. Section E, Structure reports online 20130710 Pt 8

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. ...[more]

PMID: 24109316

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