organic compounds
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In the title compound, C22H17BrN2O4S, the central dihydropyrimidine ring, with a chiral C atom, is significantly puckered and adopts a half-chair conformation with the chiral C atom displaced from the mean plane of the remaining ring atoms by 0.305 (6) Å. The hydroxy-phenyl ring is positioned axially to the pyrimidine ring and almost bisects it, the dihedral angle between the mean-planes of the two rings being 89.78 (12)°. The methoxycarbonyl group is disordered over two sites with an occupancy ratio of 0.568 (5):0.432 (5), resulting in a major and a minor conformer. In the crystal, O—HN and C—HS interactions result in sheets along the c axis. The supramolecular assembly is stabilized by π–π stacking interactions between the 2-bromobenzylidene and thiazolopyrimidine rings [centroid–centroid distance = 3.632 (1) Å]. In addition, C—Hπ interactions are also observed in the crystal structure.
organic compounds
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In the title compound, C17H20N2O4S, the aryl ring is positioned perpendicular to the dihydropyrimidine ring, the dihedral angle between the ring planes being 77.48 (9)°. The carboxylate and methyl groups are in a cis conformation with respect to the C=C bond. The dihydropyrimidine ring adopts a twist-boat conformation. The crystal structure is stabilized by N—HO and C—HO interactions, the former resulting in molecular chains along the b axis and the latter forming inversion dimers.
organic compounds
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In the title compound, C7H7ClN4O, the pyrazolopyrimidine ring is essentially planar, the r.m.s. deviation of the fitted atoms being 0.0071 Å. The crystal structure features strong N—HO hydrogen bonds and further consolidated by weak C—HO, C—HN and C—HCl interactions.
organic compounds
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In the title compound, C12H16N4S, the fused benzothiophene and the pyrimidine rings are coplanar [dihedral angle = 1.61 (6)°]. Three C atoms of the cyclohexene ring (at positions 3, 6 and 7) are disordered over two sites with an occupancy ratio of 0.702 (8):0.298 (8). The cyclohexene ring in both the major and minor components adopts a half-chair conformation. The crystal structure is stabilized by N—HN and C—HN interactions, resulting in the formation of inversion dimers with R22(10) and R22(12) graph-set motifs.
organic compounds
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In the title compound, C10H12N2S, the thiophene ring is essentially planar (r.m.s. deviation = 0.0290 Å). The two C atoms of the cyclohexene ring (at positions 6 and 7) are disordered over two sets of sites in a 0.810 (5):0.190 (5) ratio. The cyclohexene rings in both the major and minor occupancy conformers adopt a half-chair conformation. In the crystal, there are two types of N—HN interaction. One of these results in centrosymmetric head-to-head dimers corresponding to an R22(12) graph-set motif and the other forms a 20-membered macrocyclic ring involving six molecules.