In the title molecule, C16H13Cl2FN2OS, the dihedral angle between the thiophene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thiophene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of intermolecular C—H⋯O hydrogen bonds. A short intermolecular Cl⋯S contact of 3.4250 (13) Å is also found.
In the molecule of the title compound, C21H20BrN3O3, the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromophenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, intermolecular N—H⋯O and O—H⋯N hydrogen bonds link the molecules. A π–π contact between pyrimidine and phenyl rings [centroid–centroid distance = 3.776 (3) Å] may further stabilize the structure. The methine H and the methyl C and H atoms are disordered over two positions and were refined with occupancies of 0.522 (13) and 0.478 (13).
The molecule of the title pyrazole derivative, C18H19BrN4S, is twisted. The central pyrazole ring, which adopts a flattened envelope conformation, is almost coplanar with the 4-bromophenyl ring, whereas it is inclined to the 4-(dimethylamino)phenyl ring making dihedral angles of 1.68 (6) and 85.12 (6)°, respectively. The dihedral angle between the two benzene rings is 86.56 (6)°. The dimethylamino group is slightly twisted from the attached benzene ring [C—C—N—C torsion angles = 8.4 (2) and 8.9 (2)°]. In the crystal, molecules are linked by intermolecular N—H⋯S hydrogen bonds into chains along . The crystal is further stabilized by C—H⋯π interactions.
In the title compound, C16H15N3O2, the planar [maximum deviation 0.156 (2) Å] pyrazoline ring is nearly coplanar with the 3-nitrophenyl group and is approximately perpendicular to the phenyl ring, making dihedral angles of 3.80 (8) and 80.58 (10)°, respectively. Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal structure.
In the title compound, C11H10BrN5OS, the approximately planar pyrazole ring [maximum deviation = 0.014 (2) Å] forms a dihedral angle of 5.49 (13)° with the benzene ring. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked through intermolecular N—H⋯S and N—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (100). A short Br⋯Br contact of 3.5114 (6) Å is also observed.
In the title compound, C21H16BrN3O2S, the pyrazole and pyridine rings are nearly coplanar, the dihedral angle between their planes being 3.17 (14)°. The 2,3-dihydrothiophene ring adopts an envelope conformation. The 4-bromophenyl/pyridine ring and phenyl/pyrazole rings form dihedral angles of 60.06 (9) and 33.49 (11)°, respectively. There is an intramolecular C—H⋯N hydrogen bond. The crystal packing is stabilized by intermolecular C—H⋯O hydrogen bonding and C—H⋯π interactions.
In the title molecule, C24H19BrN2O5S, the pyrimidine ring is in a flattened half-chair conformation and the 4-acetoxyphenyl group is substituted axially to this ring. The thiazole ring is essentially planar [with a maximum deviation of 0.012 (2) Å for the N atom] and forms dihedral angles of 17.65 (13) and 88.95 (11)° with the bromo- and acetoxy-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 81.84 (13) Å. In the crystal, pairs of weak C—H⋯O hydrogen bonds lead to the formation of inversion dimers. A weak C—H⋯π interaction and π–π stacking interactions with centroid–centroid distances of 3.5903 (14) Å are observed.
In the title compound, C14H13N3O3, the pyrazoline ring assumes an envelope conformation with the furanyl-bearing C atom at the flap position. The dihedral angle between the furan and nitrobenzene rings is 84.40 (9)°. Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal structure.
In the title compound, C21H18BrN2O5P, the six-membered oxazaphosphinine ring is in a twist-boat conformation. One of the phosphoryl O atoms is in an equatorial configuation while the other is axial with respect to the oxazaphosphinine ring. The mean planes of the benzene ring to which the nitro group is attached and the phenyl ring form a dihedral angle of 83.5 (1)°. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link the molecules into chains along .
In the title molecular salt, C19H18BrClN3O2
+·Cl−, the dihedral angles between the pyrimidine ring and the chlorobenzene and bromobenzene rings are 72.4 (2) and 45.5 (2)°, respectively. The dihedral angle between the chlorobenzene and bromobenzene rings is 27.5 (2)°. The conformation of the molecule is stabilized by an intramolecular C—H⋯O interaction. In the crystal, the anion and cation are linked by an N—H⋯Cl hydrogen bond. Pairs of weak C—H⋯O and C—H⋯Cl hydrogen bonds form inversion dimers. Further N—H⋯Cl hydrogen bonds form R
1(6) motifs and link the dimers into chains along . Br⋯Cl short contacts [3.482 (2) Å] interlink the hydrogen-bonded chains along the b-axis direction.
The fused pyrazole and pyrimidine rings in the title compound, C22H19BrN4O, are almost coplanar, their planes being inclined to one another by 2.08 (13)°. The dihedral angles formed by the mean plane of the fused ring system and the phenyl and benzene rings are 16.21 (4) and 82.84 (4)°, respectively. An intramolecular N—H⋯N hydrogen bond is observed. In the crystal, molecules form inversion dimers via pairs of C—H⋯O hydrogen bonds. π–π interactions, with centroid–centroid distances of 3.4916 (9) Å, connect the dimers into a three-dimensional network.
In the title molecule, C26H16BrN3O3, the anthracene and benzene mean planes make dihedral angles of 63.79 (2) and 14.67 (2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link molecules to form centrosymmetric dimers. Weak π–π stacking interactions, with centroid–centroid distances of 3.779 (2) and 3.826 (2) Å, supply additional stabilization. The crystal packing also exhibits short intermolecular contacts between the nitro groups and Br atoms [Br⋯O = 3.114 (2) Å].
In the title compound, C29H27Cl2N5O2·C4H8O, the polycyclic system is composed of three parts: one central pyridine ring substituted by two functionalized pyrazoline rings. The dihedral angles between the central pyridine plane and pyrazoline planes are 5.11 (1) and 13.99 (1)°, whereas the dihedral angles between each chlorophenyl plane and the attached pyrazoline planes are 88.65 (1) and 83.87 (1)°. Molecules are linked by intermolecular C—H⋯O hydrogen bonds, forming a three-dimensional network.
The title compound, C29H27Cl2N5O2, contains a central pyridine ring and two functionalized pyrazoline rings. The pyridine ring and the two attached pyrazoline rings are nearly coplanar, whereas the terminal chlorophenyl rings are nearly perpendicular to the attached pyrazoline rings [dihedral angles = 86.78 (1) and 77.70 (1)°]. Molecules are linked by weak intermolecular C—H⋯O hydrogen bonding.
The asymmetric unit of the title compound, C18H18ClN3OS·C2H5OH, comprises a pyrazoline derivative and an ethanol solvent molecule. In the molecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the ethoxyphenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The ethoxy group is coplanar with the attached benzene ring [C—O—C—Cmethyl = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine non-H atoms]. In the crystal, the pyrazoline molecules are linked by N—H⋯Oethoxy hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol molecules by N—H⋯Oethanol and Oethanol—H⋯S hydrogen bonds. C—H⋯π interactions are also present.
In the title compound, C16H13BrN4O4S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N—N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thiazine ring has an S-envelope conformation with the S atom displaced by 0.819 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017 Å). In the crystal, C—H⋯O interactions link the molecules and weak aromatic π–π stacking [centroid–centroid separation = 3.874 (2) Å] is also observed.
In the title compound, C19H17ClN2O2, the pyrazole ring is almost planar with a maximum deviation of 0.009 (3) Å and makes a dihedral angle of 8.96 (9)° with the oxazine ring. The dihedral angles between the pyrazole ring and the chlorine- and methoxy-substituted benzene rings are 50.95 (8) and 13.24 (9)°, respectively. An intermolecular C—H⋯N hydrogen bond links the molecules into infinite chains along the a axis. The crystal structure is further stabilized by C—H⋯π interactions.
The title compound, C8H5BrN4O2S, was synthesized by the reaction of 4-bromo-2-nitrobenzoic acid with thiosemicarbazide. The dihedral angle between the thiadiazole and benzene rings is 40.5 (2)°. In the crystal, the strongest N—H⋯N intermolecular hydrogen bond, between the amine group and one thiadiazole N atom, forms centrosymmetric dimers. The other amine H atom extends the supramolecular network, forming an N—H⋯N contact with the other thiadiazole N atom.
The backbone of the title molecule, C26H25BrN4O, is approximately planar: the dihedral angle between the planes of the indoline ring system and the furan ring is 7.68 (14)°. In the crystal, layers lying parallel to (10) occur, with the molecules interacting via weak C—H⋯N(cyano) and C—H⋯Br bonds and short N(cyano)⋯Br contacts [3.345 (4) Å].
In the title compound, [Fe(C5H5)(C24H18N3O2S)], the pyrazoline ring adopts a twist conformation. The thiazole ring forms dihedral angles of 83.7 (2) and 34.4 (2)° with the benzene ring of the benzodioxole ring and the fused phenyl ring, respectively. The molecular conformation is stabilized by an intramolecular C—H⋯π interaction. The crystal packing features intermolecular C—H⋯N, C—H⋯O hydrogen bonds and weak C—H⋯π interactions.
In the title compound, C13H9BrN2O3, the dihedral angle between the mean planes of the two benzene rings is 3.6 (7)°. The amide group is twisted by 28.1 (6) and 31.8 (3)° from the mean planes of the 4-bromophenyl and 4-nitrobenzene rings, respectively. The crystal packing features weak intermolecular N—H⋯O and C—H⋯O hydrogen bonds resulting in a three-dimensional network.
In the structure of the title compound, C20H15BrN4O·C2H6O, the hydrogenated pyridinone ring adopts an envelope conformation. The dihedral angle between the bromo-substituted phenyl ring and the pyrazole ring is 79.6 (1)°, and that between the non-substituted phenyl ring and the pyrazole ring is 51.2 (1)°. In the crystal structure, molecules are linked via intermolecular N—H⋯O and O—H⋯N hydrogen bonds. A short intermolecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure.
The title compound, C17H15N3O3, was prepared from 1-(2-nitrophenyl)-3-phenylprop-2-en-1-one and hydrazine. The dihedral angle between the benzene and phenyl rings is 74.55 (2)°. The pyrazoline ring is in a slight envelope conformation with the C atom bonded to the phenyl ring forming the flap. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds connect molecules into chains along .
In the title compound, [Fe(C5H5)(C16H14N3O3)], the pyrazoline ring and the substituted cyclopentadienyl ring are nearly coplanar, with a dihedral angle of 8.17 (2)°, while the nitro-substituted benzene ring is twisted out of the pyrazoline ring plane by 70.76 (1)°. The molecules in the crystal structure are held together by three intermolecular C—H⋯O hydrogen bonds. There is also an intramolecular C—H⋯N hydrogen bond. The H atoms of the methyl group are disordered equally over two positions.
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—H⋯N and C—H⋯S 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—H⋯π interactions are also observed in the crystal structure.