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6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione
In the title pyrimidine-2,4-dione derivative, C(14)H(16)N(2)O(2)S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the C(p)—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −59.01 (17)°. An intramolecular C—H⋯S hydrogen bond generates an S(5)...
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/PMC4120546/ https://www.ncbi.nlm.nih.gov/pubmed/25161558 http://dx.doi.org/10.1107/S1600536814013269 |
Sumario: | In the title pyrimidine-2,4-dione derivative, C(14)H(16)N(2)O(2)S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the C(p)—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −59.01 (17)°. An intramolecular C—H⋯S hydrogen bond generates an S(5) ring motif. In the crystal, bifurcated acceptor N—H⋯O and C—H⋯O hydrogen bonds generate inversion-related dimers incorporating R (2) (1)(9) and R (2) (2)(8) loops. These dimers are connected into a chain extending along the a-axis direction by a second pair of inversion-related N—H⋯O hydrogen bonds, forming another R (2) (2)(8) loop. The crystal structure is further stabilized by weak intermolecular C—H⋯π interactions, generating a three-dimensional network. |
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