In the title pyrazole compound, C22H17N3O4, an intramolecular C—H⋯O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dihedral angle of 3.75 (10)°. One of the methylphenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41 (9)°. In the crystal structure, molecules are linked into chains along  by C—H⋯O contacts. The crystal structure is further stabilized by π–π interactions [centroid–centroid distance = 3.4437 (10) Å].
The overall shape of the molecule of the title compound, C17H15BrO2, can be described by the dihedral angles between three planar fragments: 1-bromo-2-methoxyphenyl ring [maximum deviation = 0.003 (2) Å], the central prop-2-en-1-one chain [maximum deviation = 0.005 (2) Å], and the methylphenyl ring [maximum deviation = 0.004 (2) Å]. The terminal planes are twisted by 10.37 (12)°, while the central plane is almost coplanar with the methylphenyl ring [3.30 (13)°], but the dihedral angle with the other phenyl ring is significantly larger [8.76 (16)°]. In the crystal, molecules are linked into chains along  by three C—H⋯O hydrogen bonds. These chains interact with each other by means of weak π–π contacts [centroid–centroid distances = 3.73 (1) and 3.44 (1) Å]. An intermolecular C—H⋯Br interaction also occurs.
The 4H-pyran ring of the title compound, C17H16N2O2, is nearly planar [maximum deviation = 0.077 (2) Å] and the cyclohexene ring adopts a flattened chair conformation [puckering parameters: Q
T = 0.435 (2) Å, θ = 122.0 (3)° and ϕ = 53.5 (3)°]. The 4H-pyran ring is almost perpendicular to the benzene ring [dihedral angle = 87.23 (8)°] and is almost coplanar with the mean plane of the cyclohexene ring [dihedral angle = 8.01 (8)°]. In the crystal, inversion-related molecules are linked by pairs of intermolecular N—H⋯N hydrogen bonds, forming inversion dimers with R
2(12) ring motifs. These dimers are further connected by N—H⋯O and C—H⋯N hydrogen bonds, forming a layer structure extending parallel to (0-12). Molecules within the layers interact with each other via C—H⋯π interactions.
In the title compound, C24H20BrN3S, the dihydrothiazole ring is approximately planar, with a maximum deviation of 0.008 (2) Å, and is twisted with respect to the 4-bromophenyl ring, the phenyl ring and methylphenyl ring, making dihedral angles of 47.96 (8), 59.52 (9) and 16.96 (9)°, respectively. In the crystal, weak C—H⋯π interactions link inversion-related molecules into supramolecular dimers.
In the title compound, C22H19ClN4Se2, the mean plane of the non-fused selenadiazole ring forms dihedral angles of 54.20 (16)° and 70.48 (11)°, respectively, with the essentially planar [maximum deviations of 0.025 (5) and 0.009 (2) Å, respectively] methylphenyl and chlorophenyl substituents. The tetrahydro-1,2,3-benzoselenadiazole group is disordered over two sets of sites with a refined occupancy ratio of 0.802 (5):0.198 (5). In the crystal, weak intermolecular C—H⋯N interactions are observed.
In the title molecule, C24H21ClN4OS, the 1,2,4-triazole ring forms dihedral angles of 37.2 (2), 71.9 (2) and 84.9 (2) ° with the three benzene rings. In the crystal, weak intermolecular N—H⋯S hydrogen bonds link the molecules into centrosymmetric dimers.
The title compound, C22H20N2, crystallizes with two independent molecules (A and B) in the asymmetric unit. The benzimidazole units are almost planar [maximum deviations = 0.0161 (8) Å for A and 0.0276 (8) Å for B]. The dihedral angles between the benzimidazole unit and the benzene rings of the 4-methylbenzyl and 4-methylphenyl groups are 76.64 (3) and 46.87 (4)°, respectively, in molecule A. The corresponding values in molecule B are 86.31 (2) and 39.14 (4)°. The dihedral angles between the planes of the two benzene rings are 73.73 (3) and 80.69 (4)° in molecules A and B, respectively. Pairs of weak intermolecular C—H⋯N hydrogen bonds link B molecules, forming centrosymmetric dimers with R
2(8) ring motifs. There are no significant corresponding interactions involving the A molecules.
In the molecule of the title compound, C19H18N4O3S, the planar central heterocylic ring system is oriented with respect to the trimethoxyphenyl and 2-methylphenyl rings at dihedral angles of 4.43 (3) and 4.32 (3)°, respectively. The dihedral angle between the two benzene rings is 7.65 (4)°. In the crystal structure, intermolecular C—H⋯N hydrogen bonds link the molecules into centrosymmetric R
2(18) dimers. These dimers are connected via a C—H⋯π contact between the 2-methylphenyl and trimethoxyphenyl rings, and a π–π contact between the thiadiazole and trimethoxyphenyl rings [interplanar distance 3.51 Å, dihedral angles 4.17(4)°]. An intramolecular C—H⋯N hydrogen bond is also present.
In the title molecule, C18H17FN2, the imidazole ring is essentially planar [maximum deviation of 0.005 (1) Å and makes dihedral angles of 72.33 (8) and 18.71 (8)° with the methylphenyl and fluorophenyl rings, respectively. The dihedral angle between the two benzene rings is 75.05 (7)°. The crystal packing is stabilized by intermolecular C—H⋯N hydrogen bonds.
In the title compound, C29H19F3N2, the tetracyclic ring system is essentially planar [maximum deviation from the best plane = 0.076 (1) Å] and makes dihedral angles of 78.10 (5) and 33.71 (4)° with the methylphenyl and fluorophenyl rings, respectively. An intramolecular C—H⋯π interaction occurs. In the crystal, pairs of C—H⋯π interactions link inversion-related molecules.
In the molecule of the title compound, C23H17N3O2, the methoxyphenyl ring is oriented at dihedral angles of 13.34 (12) and 88.83 (12)° with respect to the methylphenyl and phthalonitrile rings, respectively; the dihedral angle between methylphenyl and phthalonitrile rings is 89.67 (10)°. In the crystal structure, weak intermolecular C—H⋯N interactions link molecules into chains. A weak C—H⋯π interaction is also found..
The central β-lactam ring of the title compound, C23H21NO3, is almost planar (r.m.s. deviation = 0.032Å). The methoxybenzene ring is almost coplanar with the β-lactam ring [dihedral angle = 1.87 (11)°], whereas the tolyl ring is almost normal to it [75.73 (12)°]. The dihedral angle between the β-lactam ring and the O-bonded phenyl ring is 51.95 (12)°. An intramolecular C—H⋯O interaction generates an S(6) ring. The crystal structure features intermolecular C—H⋯O hydrogen bonds, forming layers parallel to (011), and weak C—H⋯π interactions. Two aromatic π–π stacking interactions [centroid–centroid distances = 3.6744 (12) and 3.6799 (11) Å] are also observed.
There are two independent molecules in the asymmetric unit of the title compound, C24H22N2O4S3. In each, the sulfonamide N atoms reveal nearly a trigonal-planar geometry with two S atoms of the O=S=O groups and one C atom of the thiazole ring; the angles around the N atoms are between 117.00 (13) and 123.86 (9)°. The methylphenylsulfonyl groups are in anti conformations, forming dihedral angles of 78.00 (7)/72.53 (5) and 77.09 (6)/71.50 (7)° with the trigonal S—N—S planes in the two molecules. The thiazole groups are rotated around the C—N bonds and are almost perpendicular to the S—N—S plane [dihedral angles of 78.00 (7)/72.53 (5) and 77.09 (6)/71.50 (7)°]. In the crystal, pairs of C—H⋯O interactions, with the O atoms of the sulfonamide groups as acceptors, link each of the independent molecules into inversion dimers.
In the title compound, C18H19NO, the dihedral angle between 4-methylphenyl and 4-(dimethylamino)phenyl rings is 45.5 (3)°. The C—C=C—C torsion angle of 173.8 (3)° indicates that the molecule adopts an E configuration. The dimethylamino group is nearly coplanar with the attached benzene ring, making a dihedral angle of 2.7 (3)°. Weak intermolecular C—H⋯π interactions are observed in the crystal structure.
The asymmetric unit of the title compound, C21H17Cl2N3O, contains two crystallographically independent molecules with similar conformations. The benzotriazole ring is oriented at dihedral angles of 30.61 (5) and 43.36 (5)°, respectively, to the phenyl and dichlorophenyl rings in one molecule, and 32.25 (5) and 41.04 (5)° in the other. The dihedral angles between the phenyl and dichlorophenyl rings are 66.38 (7) and 66.14 (6)° in the two molecules. An intramolecular O—H⋯N hydrogen bond links the benzotriazole ring and phenylpropanol unit in each molecule. In the crystal, weak intermolecular C—H⋯N hydrogen bonds link the molecules into chains along the a axis. π–π stacking between the dichlorophenyl rings [centroid–centroid distances = 3.809 (1) and 3.735 (1) Å] may further stabilize the crystal structure.
The asymmetric unit of the title compound, C22H17FOS, contains two independent molecules (A and B). The dihedral angles between the benzofuran ring systems [r.m.s. deviations of 0.026 (1), 0.004 (1) and 0.003 (1) Å, respectively, for molecule A, and 0.002 (1), 0.004 (1) and 0.005 (1) Å for B] and the pendant 4-fluorophenyl and 4-methylphenyl rings are 39.48 (4) and 30.86 (5)°, respectively, for molecule A, and 33.34 (6) and 20.99 (8)° for B. In the crystal, molecules are linked by weak C—H⋯F and C—H⋯π interactions, resulting in a three-dimensional network.
In the title compound, C29H28N4O3, the pyrrolidine ring adopts a twist conformation whereas the oxindole and benzimidazole residues are approximately planar with maximum deviations of 0.159 (1) and 0.011 (1) Å, respectively. The oxindole residue is almost perpendicular to the benzimidazole residue, making a dihedral angle of 89.2 (1)°. The methyl-substituted benzene ring is oriented at angles of 47.7 (1) and 71.0 (1)°, respectively, with respect to the oxindole and benzimidazole residues. An intramolecular C—H⋯O hydrogen bond is observed. In the crystal, molecules associate via N—H⋯N hydrogen bonds, forming R
In the title compound, C18H17ClO2S, the dihedral angle between the mean planes of the benzofuran ring system and the methylphenyl ring is 14.50 (4)°. The centroid–centroid distances between the benzene and the methylphenyl rings are 3.827 (2) and 3.741 (2) Å, while the centroid–centroid distance between the furan and methylphenyl rings is 3.843 (2) Å. These distances indicate π–π interactions; on the other hand, the interplanar angles between the benzene and methylphenyl rings, and between the furan and methylphenyl rings are 13.89 (4) and 15.53 (4)°, respectively. In the crystal, the molecules stack along the a-axis direction.
In the title compound, C18H18N2O5S2, the tolyl rings are oriented at a dihedral angle of 16.15 (11)° with respect to one another. The 5-methyl-1H-pyrazol-3-ol ring is roughly planar (r.m.s. deviation = 0.0231 Å) and subtends angles of 73.82 (8) and 89.85 (8)° with the tolyl rings. In the crystal, very weak π–π interactions between tolyl groups, with centroid–centroid distances of 4.1364 (19) and 4.0630 (16) Å, together with a C—H⋯π contact generate a three-dimensional network.
In the title compound, C28H24F6N2O3, the mean plane of the central pyrazoline ring forms dihedral angles of 2.08 (9) and 69.02 (16)° with the 2-benzyloxy-6-hydroxy-4-methylphenyl and 3,5-bis(trifluoromethyl)phenyl rings, respectively. The dihedral angle between the mean planes of the pyrazoline and 3,5-bis(trifluoromethyl)phenyl rings is 68.97 (9)°. An intramolecular O—H⋯N hydrogen bond is observed, which forms an S(6) graph-set motif. In the crystal, pairs of weak C—H⋯F halogen interactions link the molecules into inversion dimers while molecular chains along  are formed by C—H⋯O contacts.
In the title compound, C21H16N2O3S, the central quinazolin-4-one ring is planar (r.m.s. deviation = 0.037 Å). The N-bound benzene and thiophenyl rings are almost perpendicular to the central plane [dihedral angles = 82.22 (5) and 77.05 (13)°, respectively]. Molecules are connected into a three-dimensional array by C—H⋯O interactions involving both carbonyl O atoms. The thiophene ring is disordered over two positions, which are approximately parallel and oppositely orientated. The major component refined to a site-occupancy factor of 0.6555 (17).
The title compound, C24H27FN2O4, is an important intermediate in the synthesis of fungicidal strobilurin-type compounds. In the crystal structure, the oxime bond attached to the cyclopropane ring adopts a Z configuration, while the oxime bond attached to the benzene ring adopts an E configuration. The fluoromethylphenyl group adopts a trans configuration with respect to the remainder of the molecule, and its mean plane forms a dihedral angle of 56.1 (1)° with the plane of the cyclopropane ring.
In the molecule of the title compound, C19H18N4O3S, the central heterocylic ring system is oriented with respect to the trimethoxyphenyl and 4-methylphenyl rings at dihedral angles of 1.1 (5) and 15.1 (5)°, respectively. The dihedral angle between the two benzene rings is 16.1 (4)°. In the crystal structure, molecules are linked by intermolecular C—H⋯O hydrogen bonds, and an intramolecular C—H⋯N interaction also occurs.
The title compound, C25H20O5S, is the product of a Diels–Alder reaction. The molecule consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both show an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The thiophene ring is disordered over two sets of sites with an occupancy ratio of 0.53 (1):0.47 (1). The dihedral angles between the 4-methylphenyl ring and the major and minor components of the thiophene ring are 66.3 (1) and 67.9 (1)°, respectively, while the dihedral angle between the disordered thiophenyl components is 3.1 (1)°. The mean plane of the tricyclic ring system makes dihedral angles of 35.8 (1), 30.8 (1) and 32.8 (1)°, respectively, with the 4-methylphenyl ring and the major and minor components of the thiophenyl ring. In the crystal, inversion dimers are formed through pairs of C—H⋯π interactions. In addition, C—H⋯O interactions are observed.
In the title compound, C32H30N2O3, the piperidin-4-one and the two fused pyrrolidine rings adopt envelope conformations. The two methylphenyl rings are oriented at dihedral angle of 20.36 (7) and 56.24 (7)°, respectively, with respect to the indanone ring system. In the crystal structure, intermolecular O—H⋯N and C—H⋯O hydrogen bonds link the molecules into chains propagating along . Weak C—H⋯π interactions are also observed.