The title compound, C21H19NO, belongs to the family of α-aminoketones. The structure contains three benzene rings, two of which [the phenyl ring in the 1-position (B) and the methylaniline ring (A)] are nearly coplanar [dihedral angle = 5.4 (1)°], whereas the phenyl ring in the 2-position (C) is nearly normal to them [dihedral angles = 81.8 (1) and 87.0 (1)° for A/C and B/C, respectively]. The conformation of the N—H bond is syn to the C=O bond, favouring the formation of a centrosymmetric dimer of molecules in the crystal structure. The molecular packing is consolidated by this N—H⋯O hydrogen-bonding network.
In the crystal structure of the title compound, [Cu2(C2H3O2)4(C12H12N2)2], the binuclear molecule lies about a center of inversion; the four acetate groups each bridge a pair of CuII atoms. The coordination of the metal atom is distorted square-pyramidal, with the bonding O atoms comprising a square basal plane and the coordinating N atom of the N-heterocycle occupying the apical position. The pyridine ring is twisted with respect to the benzene ring at a dihedral angle of 45.68 (16)°. Intramolecular N—H⋯O hydrogen bonding is present between the imino and carboxy groups.
In the title compound, C33H32N2O2, the tetrahydropyridine ring adopts a boat conformation with the carbonyl group in an s-cis conformation with respect to the C=C bond of the six-membered tetrahydropyridine ring. The molecular conformation is stabilized by intramolecular N—H⋯O, C—H⋯O and C—H⋯π interactions. Formation of centrosymmetric head-to-head dimers is observed through pairwise intermolecular N—H⋯O hydrogen bonds. Additional weak C—H⋯O and C—H⋯π interactions stabilize the three-dimensional molecular assembly.
In the crystal structure of the title binuclear complex, [Cu2(CH3COO)4(C13H14N2)2], the four acetate groups each bridge a pair of CuII atoms. The coordination of the metal atoms is distorted square-pyramidal, with the bonding O atoms comprising a square basal plane and the coordinating N atom of the N-heterocycle occupying the apical position. In the two N-hetercycle ligands, the benzene rings are twisted with respect to the pyridine rings, making dihedral angles of 53.1 (2) and 54.2 (2)°. Intramolecular N—H⋯O hydrogen bonding is present between the imino and carboxy groups. The crystal studied was a non-merohedral twin with a minor twin component of 21.4%.
In the title compound, C17H17N3O2, the quinazolinone ring system is essentially planar. The benzene ring is twisted with respect to it by a dihedral angle of 32.7 (5)°. The molecular conformation is stabilized by an N—H⋯O hydrogen bond, and the crystal structure is stabilized by intermolecular O—H⋯N interactions.
There are two independent molecules, A and B, in the asymmetric unit of the title compound, C19H20N4, in each of which the N=N double bond has an E conformation. The dihedral angles between the pyrazole ring and the p-tolyl rings in the 1- and 4-positions are 22.54 (8) and 35.73 (7)°, respectively, in molecule A. The corresponding dihedral angles in molecule B are 28.13 (8) and 22.18 (8)°. In the crystal, the A and B molecules are linked by weak C—H⋯π interactions, leading to inversion dimers in each case.
In the title molecule, C15H14N4O4, the dihedral angle between the two benzene rings is 2.21 (7)°. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. The mean planes of the ortho- and para-nitro groups make dihedral angles of 2.17 (17) and 2.05 (16)°, respectively, with the benzene ring to which they are attached. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds generate R
2(13) and R
1(10) ring motifs, linking symmetry-related molecules into extended chains along the b axis. In addition, there are intermolecular C⋯C [3.332 (2)–3.343 (2) Å] contacts which are shorter than the sum of the van der Waals radii. The crystal structure is further stabilized by intermolecular C—H⋯π and π–π stacking interactions [centroid–centroid distance = 3.8090 (9) Å].
The asymmetric unit of the title compound, C19H20N2O3, contains two molecules (A and B) with slightly different orientations of the ethyl groups with respect to the attached carboxylate groups. Intramolecular C—H⋯O hydrogen bonds generate S(8) ring motifs in both molecules A and B. In each molecule, the benzimidazole ring system is essentially planar, with maximum deviations of 0.023 (1) and 0.020 (1) Å, respectively, for molecules A and B. The dihedral angle between the benzimidazole ring system and the phenyl ring is 37.34 (5)° for molecule A and 42.42 (5)° for molecule B. In the crystal, O—H⋯N and C—H⋯O hydrogen bonds link the molecules into  columns with a cross-section of two-molecule by two-molecule wide, and further stabilization is provided by weak C—H⋯π and π–π interactions [centroid separations = 3.5207 (7) and 3.6314 (8) Å].
The title compound, C14H19N3O2S, was obtained from a condensation reaction of N-(p-tolyl)hydrazinecarbothioamide and ethyl acetoacetate. The molecule assumes an E configuration; the thiosemicarbazide and ester groups are located on the opposite sides of the C=N bond. The almost planar thiosemicarbazide unit (r.m.s. deviation = 0.0130 Å) is tilted at a dihedral angle of 49.54 (12)° with respect to the benzene ring. Intermolecular N—H⋯N and N—H⋯S hydrogen bonding stabilizes the crystal structure. The ethoxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680 (10):0.320 (10).
The title compound, C15H16N6O2S, exists in a trans configuration with respect to the acyclic N=C bond. The 1,2,3-oxadiazol-3-ium ring makes dihedral angles of 10.59 (8) and 73.94 (8)°, respectively, with the 1,2,4-triazole and benzene rings. The molecular structure is stabilized by an intramolecular C—H⋯S hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked into inversion dimers by pairs of intermolecular N—H⋯S hydrogen bonds, generating eight-membered R
2(8) ring motifs. The dimers are further connected by C—H⋯O hydrogen bonds, forming a sheet parallel to the bc plane. The ethyl group is disordered over two sets of sites with occupancies of 0.744 (7) and 0.256 (7).
In the crystal structure of the title compound, C17H17ClN4O, the existence of only one 2-imino–oxo of the five possible N-amino–imino/O-keto–hydroxy tautomers is observed and the dihedral angle between the aromatic rings is 29.78 (11)°. The molecular conformation is stabilized by intramolecular C—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, in each case generating a six-membered ring. In the crystal structure, the glide-plane-related molecules are linked into C(4) amide chains by intermolecular N—H⋯O hydrogen bonds, and an intermolecular C—H⋯O link also occurs.
In the title compound, C16H13N5O3S·CH4O, the dihedral angle between the isatin unit and the 2-methylphenyl group is 41.81 (2)° and intramolecular N—H⋯O and N—H⋯N hydrogen bonds occur, generating S(6) and S(5) rings, respectively. In the crystal, polymeric chains arise as a result of N—H⋯O, O—H⋯S and C—H⋯O interactions.
In the molecule of the title compound, C9H11NO2, the methyl C atom bonded to the ring and the N atom lie in the benzene ring plane. An intramolecular O—H⋯O hydrogen bond results in the formation of a five-membered planar ring, which is oriented at a dihedral angle of 81.37 (3)° with respect to the benzene ring. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the molecules stacked along the b axis. There are also π–π interactions between benzene rings with a face-to-face stacking distance of 3.434 Å.
In the title compound, C25H23NO4, the pyran ring of the chroman moiety has an envelope conformation with the methylene C atom as the flap. The isoxazole ring has a twist conformation on the O—C bond. The dihedral angle between their mean planes is 57.87 (9)°. The attached phenyl and benzene rings are twisted away from its mean plane by 56.19 (10) and 50.57 (10)°, respectively. These two rings are normal to each other, subtending a dihedral angle of 89.2 (1)°. In the crystal, there are no classical hydrogen bonds; the molecules are linked via C—H⋯π interactions, forming a two-dimensional network lying parallel to (10-1).
In the title compound, C17H16N2OS, the central thiazolidin-4-one ring forms dihedral angles of 66.49 (9) and 79.45 (6)° with the two methyl-substituted benzene rings. In the crystal, molecules are stacked in columns along the b axis through C—H⋯π interactions. The H atoms of one of the methyl groups are disordered over two orientations with equal site occupancies.
In the molecule of the title compound, C14H12ClNO, the two benzene rings are close to coplanar [dihedral angle = 7.85 (4)°]. The amide N—C=O plane makes dihedral angles of 34.04 (4) and 39.90 (3)°, respectively, with the 4-chloro- and 2-methylphenyl rings. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link the molecules into chains.
In the title compound, C19H20N2O, the dihedral angles between the 1,3,4-oxadiazole ring and the pendant 4-tert-butylphenyl and 4-methylphenyl rings are 12.53 (17) and 2.14 (17)°, respectively. In the crystal, molecules are linked by C—H⋯N hydrogen bonds, forming chains.
In the title molecule, C19H25N2O2P, the P atom is bonded in a distorted tetrahedral environment. The dihedral angle between the two phenyl rings is 89.09 (8)°. The methyl H atoms are disordered over two sets of sites with equal occupancy. The O atom of the P=O group acts as a double hydrogen-bond acceptor of the type (N—H)2⋯(O=)P—, forming R
2(8) rings which are further linked into chains along .
The asymmetric unit of the title compound, C17H20N4S, contains two independent molecules, the main difference between them being the dihedral angles between the benzene rings [19.99 (17) and 9.72 (17)°]. The molecules both have a trans conformation about the C=N double bond and intramolecular C—H⋯S and N—H⋯N hydrogen bonds are observed in both molecules. In the crystal, molecules are linked by weak N—H⋯S hydrogen bonds with graph-set motif R
2(8). In each molecule, all but one of the N atoms and both the S atoms are involved in hydrogen bonding.
In the title compound, C24H21N3S, the thiazole ring makes dihedral angles of 52.03 (6), 62.63 (6) and 12.35 (6)°, respectively, with the two phenyl rings and the benzene ring. In the crystal, weak C—H⋯π interactions occur between inversion-related molecules.
In the title molecule, C19H15F3N2O, the benzene rings of the tolyl and trifluoromethylphenyl groups form dihedral angles of 64.1 (2) and 38.5 (2)°, respectively, with the pyridazine ring. The CF3 group is disordered over two orientations, with site-occupancy factors of ca 0.56 and 0.44.
In the crystal structure of the title compound, C30H24N4O2S, the dihydroquinoxaline fused-ring system is disordered over three orientations in a 0.358 (2):0.318 (3):0.324 (3) ratio; the mean planes of the non-H atoms of the disorder components are aligned at 4.0 (3), 11.8 (4) and 41.7 (2)° with respect to the pyrazole ring. The rings of the phenyl and tolyl substituents are aligned at 64.0 (1) and 43.7 (1)° with respect to the pyrazole ring. Weak intermolecular C—H⋯O hydrogen bonding links the molecules, forming supramolecular chains running along the a axis.
In the title compound, C15H15NO2, the phenol group make dihedral angles of 2.4 (2) and 24.1 (9)° with the imine linkage (–C=N–) and the phenyl group, respectively, and the molecule adopts the enol–imine tautomeric form, so the molecular structure is stabilized by a strong intramolecular O—H⋯N hydrogen bond. The crystal structure features a weak C—H⋯π interaction.
The title Schiff base compound, C23H23N5O, was synthesized by the reaction of 4-aminophenazone and 3,5-dimethyl-1-phenylpyrazole-4-carbaxaldehyde. The molecule adopts an E configuration about the central C=N double bond. A weak intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The dihedral angle between the pyrazole rings is 24.72 (10)° and the dihedral angles between the pyrazole rings and the adjacent phenyl rings are 58.67 (10) and 46.58 (11)°. The crystal structure is stabilized by weak C—H⋯π interactions involving the pyrazolone and phenyl rings.
In the title compound, C24H27NO10S2, derived from l-sorbofuranose, the fused five-membered rings display envelope conformations. The two tosylate branches are in equatorial positions with respect to the furanose ring, while the hydroxy group is in the axial position. In the crystal structure, the hydroxy group is involved in intermolecular O—H⋯O hydrogen bonds, linking molecules in chains along .