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6-[(2-Methyl-phen-yl)sulfan-yl]-5-propyl-pyrimidine-2,4(1H,3H)-dione

6-[(2-Methyl-phen-yl)sulfan-yl]-5-propyl-pyrimidine-2,4(1H,3H)-dione

Nadia G Haress, Hazem A Ghabbour, Ali A El-Emam, C S Chidan Kumar, Hoong-Kun Fun

Acta Crystallogr Sect E Struct Rep Online. 2014 Jun 14;70(Pt 7):o768-9.

PMID: 25161558

Abstract:

In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The mol-ecule is twisted about the Cp-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 inter-molecular C-H⋯π inter-actions, generating a three-dimensional network.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP332855886	(S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione		332855-88-6	Price

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