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Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
In the title compound, C(12)H(14)N(2)O(2)S(2), the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five nea...
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/PMC4384618/ https://www.ncbi.nlm.nih.gov/pubmed/25878882 http://dx.doi.org/10.1107/S2056989014027741 |
Sumario: | In the title compound, C(12)H(14)N(2)O(2)S(2), the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, molecules are linked into a supramolecular chain along [100] via N—H⋯O(carbonyl) hydrogen bonds. Inversion-related chains are linked into double chains via N—H⋯S(thione) hydrogen bonds. The three-dimensional architecture also features methyl–thienyl C—H⋯π interactions. |
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