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Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate

In the title compound, C(17)H(18)N(2)O(3)S(2), the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thio­phene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thio­phene ring lies almost normal to the pyrimidine ring, making a dihedral ang...

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Detalles Bibliográficos
Autores principales: Prasad, N. L., Krishnamurthy, M. S., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518970/
https://www.ncbi.nlm.nih.gov/pubmed/26279917
http://dx.doi.org/10.1107/S2056989015010981
Descripción
Sumario:In the title compound, C(17)H(18)N(2)O(3)S(2), the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thio­phene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thio­phene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36 (19)°. In the crystal, pairs of very weak C—H⋯O hydrogen bonds link the mol­ecules related by twofold rotation axes, forming R (2) (2)(18) rings, which are in turn linked by another C—H⋯O inter­action, forming chains of rings along [010]. In addition, weak C—H⋯π(thio­phene) inter­actions link the chains into layers parallel to [001] and π–π inter­actions with a centroid–centroid distance of 3.772 (10) Å connect these layers into a three-dimensional network.