Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yl-oxy)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxyl-ate

Mehmet Akkurt; Victoria A Smolenski; Shaaban K Mohamed; Jerry P Jasinski; Essam K Ahmed; Mustafa R Albayati

doi:10.1107/S2056989015018447

Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yl-oxy)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxyl-ate

Acta Crystallogr E Crystallogr Commun. 2015 Oct 10;71(Pt 11):o836-7. doi: 10.1107/S2056989015018447. eCollection 2015 Nov 1.

Authors

Mehmet Akkurt¹, Victoria A Smolenski², Shaaban K Mohamed³, Jerry P Jasinski², Essam K Ahmed⁴, Mustafa R Albayati⁵

Affiliations

¹ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
² Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
³ Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
⁴ Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
⁵ Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.

Abstract

In the title compound, C21H19N3O3S, the 5,6,7,8-tetra-hydro-pyridine ring adopts a half-chair conformation. The fused-thieno[2,3-d]pyrimidine ring system is essentially planar (r.m.s. deviation = 0.001 Å) and forms a dihedral angle of 2.66 (6)° with the attached phenyl ring. The three-dimensional crystal packing is stabilized by C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions.

Keywords: C—H⋯π interactions; crystal structure; hydrogen bonding; tetrahydropyridine ring; thieno-pyrimidine.