Ethyl 4-(2-bromo-5-fluoro-phen-yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

ABSTRACT: In the title mol-ecule, C(20)H(18)BrFN(2)O(2)S, the pyrimidine ring adopts a flattened envelope conformation. The halogenated benzene ring is orthogonal to the planar part of the pyrimidine ring [dihedral angle = 89.05?(4)°], while the other phenyl ring is oriented at an angle of 85.14?(5)°. The ethoxy group is disordered over two orientations with site occpancies of ca 0.869?(4) and 0.131?(4). Intra-molecular C-H?Br and C-H?O hydrogen bonds generate S(5) and S(6) ring motifs. The crystal structure is stabilized by inter-molecular N-H?S, C-H?F, C-H?O and C-H?Br hydrogen bonds.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2962151 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature