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Crystal structure of ethyl 2-(2-fluorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
In the title molecule, C(23)H(18)F(2)N(2)O(3)S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thiazole ring. The pyrimidine ring adopts a flattened sofa conformation with the sp (3)-hydridized C atom forming...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257371/ https://www.ncbi.nlm.nih.gov/pubmed/25553039 http://dx.doi.org/10.1107/S1600536814025008 |
Sumario: | In the title molecule, C(23)H(18)F(2)N(2)O(3)S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thiazole ring. The pyrimidine ring adopts a flattened sofa conformation with the sp (3)-hydridized C atom forming the flap. In the crystal, pairs of weak C—H⋯O hydrogen bonds link molecules related by twofold rotation axes, forming R (2) (2)(10) rings, which are in turn linked by weak C—H⋯N interactions to form chains of rings along [010]. In addition, weak C—H⋯π(arene) interactions link the chains into layers parallel to (001) and π–π interactions with a centroid–centroid distance of 3.836 (10) Å connect these layers into a three-dimensional network. |
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