Crystal and Molecular Structure of 1-Allyl Methylphenyl)pyrimidine-2(1H)

Abstract

The crystal structure of 1-allyl-5-(4-methylbenzoyl)-4-(4-methylphenyl) pyrimidine-2(1H)-thione (C<inf>22</inf>H<inf>20</inf>N<inf>2</inf>OS) has been determined from three dimensional single crystal X-ray diffraction data. The title compound crystallizes in the monoclinic space group P2<inf>1</inf>/c, with a = 10.6674(13), b = 10.1077(7), c = 17.9467(19) Å, β= 98.460(9)°, V = 1914.0(3) Å3, D<inf>calc</inf> = 1.251 g cm-3, Z= 4. In the title compound, the allyl group shows positional disorder. Molecules are linked by C-H⋯O, C-H⋯N and C-H⋯S intermolecular interactions forming two-dimensional network. © 2006 WILEY-VCH Verlag GmbH & Co. KGaA.