In the title compound, C19H20O5, the pyran ring is in an envelope conformation, whereas the benzene and dihydropyran ring system is planar with an r.m.s. deviation of 0.0190 (1) Å. The hydroxy group is coplanar with the attached benzene ring [r.m.s. deviation = 0.0106 (1) Å]. An intramolecular O—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked into chains along the b axis by weak C—H⋯O interactions. These chains are stacked along the a axis. C—H⋯π and weak π–π interactions [centroid–centroid distance = 3.7698 (7) Å] are also observed.
In the title molecule, C23H14N2O2, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1018 (8) Å]. The pyrrole ring makes dihedral angles of 4.44 (5), 3.84 (5), 2.18 (5) and 56.44 (5)° with the pyran, fused benzene rings and phenyl ring, respectively. In the crystal, pairs of N—H⋯O hydrogen bonds generate R
2(14) loops and a C—H⋯N interaction is also found. Molecules are further linked by a number of π–π interactions [centroid–centroid distances vary from 3.5702 (5) to 3.7068 (6) Å], forming a three-dimensional network.
The crystal structure of the title compound, C25H18ClN5O, was determined in the course of our studies on the synthesis of 1,4-dihydropyrano[2,3-c]pyrazole as an inhibitor of the p38 mitogen-activated protein kinase (MAPK). The compound was prepared via a base-catalysed synthesis from 1-benzyl-3-(4-pyridyl)-1H-pyrazol-5(4H)-one with p-chloroaldehyde and malononitrile. The crystal data obtained were used to generate a three-dimensional pharmacophore model for in silico database screening. The phenyl ring is disordered over two positions, with site occupancy factors of 0.55 and 0.45. The dihedral angles between the 1,4-dihydropyrano[2,3-c]pyrazole unit and the chlorophenyl and pyridine rings are 83.7 (1) and 16.0 (1)°, respectively. The chlorophenyl and pyridine rings make a dihedral angle of 86.8 (2)°.
The molecule of the title compound, C17H13NO2, is nearly planar, the r.m.s. deviation for all non-H atoms excluding the two methyl C atoms being 0.089 Å. Intermolecular N—H⋯O and C—H⋯O hydrogen bonds are found in the crystal structure. C—H⋯π interactions are also found. The H atoms of the methyl group attached to the benzene ring are disordered equally over two positions.
In the title compound, C25H13Cl2F4N3, there are four planar systems, viz. three benzene rings and a pyrazolo[1,5-a]pyrimidine system [r.m.s. deviation = 0.002 Å]. The dihedral angle between the dichlorophenyl ring and the unsubstituted phenyl ring is 69.95 (5)°, while that between the fluorophenyl ring and the unsubstituted phenyl ring is 7.97 (10)°. The crystal packing is dominated by van der Waals interactions. A Cl⋯Cl interaction of 3.475 (3) Å also occurs.
The title compound, C18H17NO2, was prepared from 1-hydroxy-7-methylcarbazole and 3,3-dimethylacrylic acid with trifluoroacetic acid as the cyclization catalyst. The molecules contain an essentially planar 6-methylindole unit. The second aromatic ring is significantly bent away from the plane of this unit, with maximum deviations of 0.171 (1) and 0.185 (1) Å for two of the C atoms. In the crystal structure, there are neither N—H⋯O hydrogen bonds nor π–π stacking between the aromatic sections of neighboring molecules. There is only one weak C—H⋯O hydrogen bond and a number of weak C—H⋯π interactions.
In the title compound, C16H10Cl2F3N3S, the dihedral angle between the quinoline and thiophene ring systems is 4.94 (10)°. The NH group of the hydrazone moiety does not form a hydrogen bond, due to a steric crowding. In the crystal, the thiophene ring takes part in weak π–π stacking interactions with the pyridine ring [centroid-to-centroid separation = 3.7553 (19) Å and interplanar angle = 5.48 (12)°] and the benzene ring [3.7927 (19) Å and 4.58 (12)°]. Together, these lead to  stacks of molecules in an alternating head-to-tail arrangement, with two π–π stacking contacts between each adjacent pair.
The title compound, C13H6Cl3F3N4O, was synthesized by the reaction of 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile and 2-chloroacetyl chloride. The five-membered pyrazole ring makes a dihedral angle of 71.5 (3)° with the benzene ring. The –CF3 group is disordered by rotation, and the F atoms are split over two sets of sites with occupancies of 0.59 (2) and 0.41 (2). The crystal structure features weak C—H⋯O and N—H⋯N interactions involving the carbonyl and cyano groups as acceptors.
In the title molecule, C19H18F3N3O, the dihydropyridine and cyclohexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydropyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoromethyl group were refined as disordered over two sets of sites in a 0.840 (3):0.160 (3) ratio. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds link molecules into a two-dimensional network parallel to (100).
In the title molecule, C20H13F3N2, the benzimidazole unit is close to being planar [maximum deviation = 0.012 (1) Å] and forms dihedral angles of 31.43 (7) and 61.45 (9)° with the 4-(trifluoromethyl)phenyl and 1-phenyl rings, respectively; the dihedral angle between these rings is 60.94 (10)°. In the crystal, C—H⋯F hydrogen bonds link the molecules into chains along the c-axis direction. The CF3 group is rotationally disordered with an occupancy ratio of 0.557 (8):0.443 (8) for the F atoms.
In the title compound, C19H19NO2, commonly called koenimbine, the pyran ring adopts a sofa conformation. The carbazole ring system is planar [r.m.s. deviation = 0.063 (1) Å]. A C(10) zigzag chain running along the b axis is formed through intermolecular C—H⋯O hydrogen bonds. The chains are linked via weak C—H⋯π and N—H⋯π interactions.
In the title compound, C20H11Cl2F4N3, the central pyrazolo[1,5-a]pyrimidine unit is almost planar [the mean deviation from the best least-square plane through the nine atoms is 0.006 (2) Å]. The fluorobenzene ring is rotated out of this plane by 10.3 (3)°, whereas the dichlorobenzene ring is rotated by 46.2 (3)°. The crystal packing is dominated by Cl⋯Cl interactions of 3.475 (3) Å and van der Waals interactions.
The five-membered dihydropyrazole ring in the title compound, C10H9F3N2O, is approximately planar (r.m.s. deviation 0.111 Å for all non-H atoms) and its phenyl substituent is aligned at an angle of 14.7 (2)°. Adjacent molecules are linked by N—H⋯O and O—H⋯N hydrogen bonds, generating ribbons running along the b axis of the monoclinic unit cell.
In the title compound, C28H22O6, the chromeno ring system is almost planar, with a dihedral angle between the mean planes of the pyran and benzene rings of 1.87 (8)°. The pyran ring bearing the methylphenyl substituent has a half-chair conformation while the other pyran ring has an envelope conformation with the tetrasubstituted C atom as the flap. The benzene ring of the chromeno ring system is inclined to the benzene ring fused to the latter pyran ring by 74.66 (9)°. These aromatic rings are inclined to the 4-methylphenyl ring by 52.67 (9) and 66.63 (10)°, respectively. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.
In the title compound, C15H9ClF3N3, the phenyl and chloro-trifluoromethyl benzene rings are twisted with respect to the planar triazole group, making dihedral angles of 21.29 (12) and 32.19 (11)°, respectively. In the crystal, the molecules pack in a head-to-tail arrangement along the a axis with closest inter-centroid distances between the triazole rings of 3.7372 (12) Å.
In the title compound, C12H2Cl2F6IN3OS, the dihedral angle between the planes of the benzene and pyrazole rings is 77.8 (2)°. In the crystal, a short I⋯N contact of 2.897 (5) Å occurs.
The title molecule, C17H14F3NO4, consists of two nearly planar fragments, viz. the 2-benzyloxypyridine (r.m.s. deviation 0.016 Å) and (E)-3-methoxyprop2-enoic (r.m.s. deviation 0.004 Å) units, which form a dihedral angle of 84.19 (7)°. In the crystal, pairs of O—H⋯O hydrogen bonds link molecules into dimers that are further connected by C—H⋯O and C—H⋯F interactions into (001) layers. In addition, π–π stacking interactions are observed within a layer between the pyridine and benzene rings [centroid–centroid distance = 3.768 (2) Å]. The F atoms of the trifluoromethyl group are disordered over two sets of sites in a 0.53 (4):0.47 (4) ratio.
In the title compound, C20H14Cl2F3NO3, the trifluromethyl group is disordered over two sets of sites in a 0.784 (10):0.216 (10) ratio. The quinoline ring system is essentially planar with a maximum deviation of 0.058 (2) Å for the N atom and forms dihedral angles of 89.23 (11) and 8.13 (17)°, respectively with the mean planes of the benzene ring and the carboxylate group. In the crystal, pairs of weak C—H⋯O and C—H⋯F hydrogen bonds link molecules into centrosymmetric dimers. The crystal structure is further stabilized by weak π–π [centroid–centroid distance = 3.624 (2) Å] interactions.
In the title molecule, C15H13ClF3N3O3, the pyrazole and benzene rings form a dihedral angle of 77.6 (3)°. In the crystal, molecules related by translation along the a axis are linked into chains via C—H⋯O hydrogen bonds. The crystal packing is stabilized further by weak π–π [centroid–centroid distance = 3.734 (6) Å] and dipole–dipole interactions [C⋯O = 3.174 (2) Å].
The title compound, C16H13Cl2F3N2, exists in an E conformation with respect to the C=N bond [1.2952 (11) Å] and the C—N—N=C torsion angle is 175.65 (8)°. The dihedral angle between the benzene rings is 42.09 (4)°. An intramolecular C—H⋯F hydrogen bond generates an S(6) ring. In the crystal, the molecules are linked into  chains by C—H⋯F hydrogen bonds.
In the title compound, C31H22F3NO2, the pyrrolidine and cyclopentane rings within the dihydroindene ring system are in envelope conformations, with the N atom and the spiro-C atom at the flap, respectively. An intramolecular C—H⋯O hydrogen bond forms an S(8) ring motif. The mean plane through the pyrrolidine ring [r.m.s. deviation = 0.179 (2) Å] makes dihedral angles of 86.30 (13), 88.99 (10) and 79.69 (11)° with the benzene ring, the dihydroacenaphthylene ring and the mean plane of the indane system, respectively. In the crystal, molecules are linked by C—H⋯O and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the ac plane. C—H⋯π interactions further stabilize the crystal structure.
The title compound, C20H15N5O3, was synthesized by the one-pot reaction of a four-component reaction protocol in aqueous medium. The pyrano[2,3-c]pyrazole system is essentially planar, with a maximum deviation of 0.026 (2) Å. The 3-nitrophenyl and phenyl rings make dihedral angles of 81.11 (5) and 13.36 (1)°, respectively, with the mean plane of the pyrano[2,3-c]pyrazole ring. The crystal structure is stabilized by N—H⋯N hydrogen bonds, which form infinite chain propagating along the c axis and by N—H⋯O hydrogen bonds, which form infinite chains propagating along the a axis. There are also N—O⋯N—C dipole–dipole interactions along the a axis with an O⋯N distance of 3.061 (3) Å, which is shorter than that of the N—H⋯O hydrogen bond [3.196 (3) Å].
The molecule of the title compound, C31H16F6N2O4, consists of two phthalimide units linked by a [bis(trifluoromethyl)methylene]di-p-phenylene bridge, with the two halves of the molecule related to each other by a twofold rotation axis. The dihedral angle between the planes of the two central benzene rings is 70.5 (3)°. The terminal isoindole groups are approximately planar, with a maximum r.m.s. deviation of 0.006 Å from the mean plane, and they form dihedral angles of 46.03 (3)° to the attached benzene rings. Intermolecular C—H⋯O hydrogen bonds link neighboring molecules into chains along the c axis.
The title compound, C23H17F6NO, crystallizes with two molecules in the asymmetric unit. The molecules assume an approximate propellar shape, with the three aromatic rings being bent with respect to the plane formed by the C atoms that are connected to the methine C atom [dihedral angles: pyridyl 67.49 (3)°, phenyl 56.82 (4)° and phenyl 77.21 (6)° in one molecule, and corresponding angles of 71.60 (6), 53.68 (4) and 77.53 (6)° in the second molecule].
The title compound, C19H15NO2S3, is the first example of a dithia analogue of pyrano[3,4-b]indolone. The almost planar thiopyranoindolethione ring system (r.m.s. deviation for all non-H atoms = 0.030 Å) makes a dihedral angle of 80.70 (8)° with the p-tolyl ring. In the crystal, molecules are connected via C—H⋯O hydrogen bonds into two chains along the b axis. These chains are connected via π–π interactions between symmetry-related thiopyranoindolethione ring systems [centroid–centroid distance = 3.588 (1) Å].