organic compounds
Open access
In the title molecule, C13H14N2O3S, the dihydropyrimidine ring is in a flattened sofa conformation, with the methine C atom forming the flap. The dihedral angle between the mean plane of the five essentially planar atoms of the dihydropyrimidine ring [maximum deviation = 0.056 (4) Å] and the benzene ring is 89.4 (2)°. The O atom of the carbonyl group is in a trans conformation with respect to the C=C bond of the dihydropyrimidine ring. In the crystal, N—HO and O—HS hydrogen bonds connect molecules, forming a two-dimensional network parallel to (001).
organic compounds
Open access
In the title compound, C14H9F3N2, the mean planes of the benzimidazole ring system and the trifluoromethyl-substituted benzene ring form a dihedral angle of 30.1 (1)°. In the crystal, molecules are linked by N—HN hydrogen bonds into chains along [010]. Weak C—HF hydrogen bonds and a weak C—Hπ interaction connect the chains into a two-dimensional network parallel to (001).
data reports
Open access
In the title molecule, C23H18F2N2O3S, the pyrimidine ring is in a half-chair conformation and the 3-fluorophenyl group is in the axial position. The thiazole ring (r.m.s. deviation = 0.0252 Å) forms dihedral angles of 84.8 (7) and 9.6 (7)° with the 3-fluoro-substituted and 4-fluoro-substituted benzene rings, respectively. In the crystal, weak C—HF and C—HO hydrogen bonds connect molecules, forming zigzag chains along the b axis. In addition π–π stacking interactions with a centroid–centroid distance of 3.7633 (9) Å connect these chains into ladders via inversion-related 4-fluorophenyl groups.
data reports
Open access
In the title molecule, C20H22N2O4S, the pyrimidine ring is in a flattened half-chair conformation and the 3-methoxyphenyl substituent is in an axial arrangement. The thiazole ring forms a dihedral angle of 81.3 (1)° with the benzene ring. In the crystal, weak C—HS interactions link molecules into chains along [001]. In addition, there are π–π interactions between inversion-related thiazole rings with a centroid–centroid distance of 3.529 (2) Å. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.52 (3):0.48 (2).
data reports
Open access
The asymmetric unit of the title compound, C15H21N3OSi, contains two molecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163 Å). The dihedral angles between the planes of the 1,2,3-triazole and 2,4-dimethylbenzene rings are 27.0 (3) and 19.5 (3)°. In the crystal, molecules are linked by very weak C—HO and C—HN hydrogen bonds to generate [100] chains. The chains are cross-linked by C—Hπ interactions.
data reports
Open access
In the title molecule, C23H18F2N2O3S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thiazole ring. The pyrimidine ring adopts a flattened sofa conformation with the sp3-hydridized C atom forming the flap. In the crystal, pairs of weak C—HO hydrogen bonds link molecules related by twofold rotation axes, forming R22(10) rings, which are in turn linked by weak C—HN interactions to form chains of rings along [010]. In addition, weak C—Hπ(arene) interactions link the chains into layers parallel to (001) and π–π interactions with a centroid–centroid distance of 3.836 (10) Å connect these layers into a three-dimensional network.