Crystal structure of ethyl 6-methyl-2-sulfanyl­idene-4-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

Acta Crystallographica Section E: Crystallographic Communications

Vasuki, G.¹  Padusha, M.S.A.¹  Viswanathan, V.³  Velmurugan, D.⁴  Suresh, M.⁵  Novina, J.J.⁵ 

[1]Research Department of Chemistry, Jamal Mohamed College (Autonomous), Tiruchirappalli-20, India

[2]Centre of Advanced study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai-25, India

[3]Department of Physics, Idhaya College for Women, Kumbakonam-1, India

[4]Department of Physics, Kunthavai Naachiar Government Arts College (W) (Autonomous), Thanjavur-7, India

[5]PG &

关键词: CRYSTAL STRUCTURE;    PYRIMIDINE;    HYDROGEN BONDING;    C-H...[PI] INTERACTIONS;    CONFORMATION;   

DOI  :  10.1107/S2056989014027741

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C12H14N2O2S2, the di­hydro­pyrimidine 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, mol­ecules are linked into a supra­molecular chain along [100] via N—H⋯O(carbon­yl) hydrogen bonds. Inversion-related chains are linked into double chains via N—H⋯S(thione) hydrogen bonds. The three-dimensional architecture also features meth­yl–thienyl C—H⋯π inter­actions.

【 授权许可】

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