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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)...

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Detalles Bibliográficos
Autores principales: Haress, Nadia G., Ghabbour, Hazem A., El-Emam, Ali A., Chidan Kumar, C. S., Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
Descripción
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.