organic compounds
Open access
In the title compound, C22H21N3O2, the pyrimidine ring is essentially planar [maximum deviation = 0.018 (2) Å] and forms dihedral angles of 22.70 (8) and 0.97 (7)°, respectively, with the fused benzene ring and the hydroxy-substituted benzene ring. The piperidine ring has a chair conformation and the pyran ring has a flattened twist-boat conformation. The hydroxy group was refined as disordered over two sets of sites in a 0.702 (4):0.298 (4) ratio. The disorder corresponds to a rotation of approxomiately 180° about the C—C bond connecting the phenol group to the pyrimidine ring and hence, both the major and minor components of disorder form intramolecular O—HN hydrogen bonds. In the crystal, pairs of weak C—Hπ interactions form inversion dimers. In addition, π–π interactions are observed between the pyrimidine ring and the hydroxy-substituted benzene ring [centroid–centroid separation = 3.739 (2) Å].
organic compounds
Open access
In the asymmetric unit of the title compound, C16H14N4O3·C2H6OS, there are two independent main molecules (A and B) and two dimethyl sulfoxide solvent molecules. In molecule A, the pyran ring is in a flattened sofa conformation, with the sp3-hydridized C atom forming the flap. In molecule B, the pyran ring is in a flattened boat conformation, with the sp3-hydridized C atom and the O atom deviating by 0.073 (3) and 0.055 (3) Å, respectively, from the plane of the other four atoms. The mean planes the pyrazole and phenyl rings form dihedral angles of 84.4 (2) and 84.9 (2)°, respectively, for molecules A and B. In the crystal, N—HO and N—HN hydrogen bonds link the components of the structure into chains along [010]. In both solvent molecules, the S atoms are disordered over two sites, with occupancy ratios of 0.679 (4):0.321 (4) and 0.546 (6):0.454 (6).
organic compounds
Open access
In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—HN, N—HO, C—HN and C—HO hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π–π interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) Å].
Keywords: crystal structure.
data reports
Open access
In the title molecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N—HO hydrogen bonds link molecules, forming a two-dimensional network parallel to (001) and in combination with weak C—HO hydrogen bonds, a three-dimensional network is formed. Weak C—Hπ interactions and π–π interactions, with a centroid–centroid distance of 3.599 (2) Å are also observed.