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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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