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Open AccessArticle10.1107/s1600536810031296

1-(6-Methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone

N. Anuradha,A. Thiruvalluvar,S. Chitra,K. Pandiarajan,Ray J. Butcher-2010-08-10-Acta Crystallographica Section E Structure Reports Online
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TL;DRAbstract

In the title compound, C(13)H(14)N(2)OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter-molecular N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds are found in the crystal structure.

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In the title compound, C(13)H(14)N(2)OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter-molecular N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds are found in the crystal structure.

Keywords

Dihedral angleRing (chemistry)Hydrogen bondChemistryCrystal structureCrystallographyThionyl chlorideCyclohexane conformation

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