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

Vijayan Viswanathan¹  Devadasan Velmurugan¹  J. Josephine Novina²  G. Vasuki³  M. Syed Ali Padusha⁴  M. Suresh⁴ 

[1] Centre of Advanced study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai-25, India;Department of Physics, Idhaya College for Women, Kumbakonam-1, India;Department of Physics, Kunthavai Naachiar Government Arts College (W) (Autonomous), Thanjavur-7, India;PG & Research Department of Chemistry, Jamal Mohamed College (Autonomous), Tiruchirappalli-20, India;

关键词: crystal structure;    pyrimidine;    hydrogen bonding;    C—H...π interactions;    conformation;   

DOI  :  10.1107/S2056989014027741

来源: DOAJ

【 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】

Unknown