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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.

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?? inter-actions.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC4645036 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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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.

Akkurt Mehmet M Smolenski Victoria A VA Mohamed Shaaban K SK Jasinski Jerry P JP Ahmed Essam K EK Albayati Mustafa R MR

Acta crystallographica. Section E, Crystallographic communications 20151010 Pt 11

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. ...[more]

PMID: 26594553

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