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. 2015 Jan 3;71(Pt 2):o81-2.
doi: 10.1107/S2056989014027741. eCollection 2015 Feb 1.

Crystal structure of ethyl 6-methyl-2-sulfanyl-idene-4-(thio-phen-2-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate

M Suresh  1 , M Syed Ali Padusha  1 , J Josephine Novina  2 , G Vasuki  3 , Vijayan Viswanathan  4 , Devadasan Velmurugan  4
Affiliations

Crystal structure of ethyl 6-methyl-2-sulfanyl-idene-4-(thio-phen-2-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate

M Suresh et al. Acta Crystallogr E Crystallogr Commun. .

Abstract

In the title compound, C12H14N2O2S2, the di-hydro-pyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, mol-ecules are linked into a supra-molecular chain along [100] via N-H⋯O(carbon-yl) hydrogen bonds. Inversion-related chains are linked into double chains via N-H⋯S(thione) hydrogen bonds. The three-dimensional architecture also features meth-yl-thienyl C-H⋯π inter-actions.

Keywords: C—H⋯π inter­actions; conformation; crystal structure; hydrogen bonding; pyrimidine.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, with the atom labelling. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
Partial crystal packing of the title compound, showing the R22(8) ring motif, viewed along the b axis. Hydrogen bonds are shown as dashed lines.
Fig. 3.
Fig. 3.
Part of the crystal packing of the title compound, showing C—H···π interactions. Viewed along the a axis.
Fig. 4.
Fig. 4.
Image showing the C—H···π interactions.
See this image and copyright information in PMC

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