3-Acetyl-5-phenyl-1-p-tolyl-1H-pyrazole-4-carbonitrile

In the title pyrazole derivative, C19H15N3O, the central pyrazole ring makes dihedral angles of 42.71 (9) and 61.34 (9)°, respectively, with the phenyl and p-tolyl rings. The dihedral angle between the phenyl and p-tolyl rings is 58.22 (9)°. The 3-acetyl-1H-pyrazole-4-carbonitrile unit is essentially planar, with an r.m.s. deviation of 0.0295 (1) Å for the ten non-H atoms

N′-[(1E,2E)-1-(2-Phenyl­hydrazin-1-yl­idene)-1-(phenyl­sulfon­yl)propan-2-yl­idene]benzohydrazide

The configuration about each C=N bond in the title compound, C22H20N4O3S, is E. While to a first approximation the phenyl­hydrazin-1-yl­idene and benzohydrazide residues are coplanar, in part due to the presence of an intra­molecular N—H⋯N hydrogen bond, significant twists are evident in the orientations of the hydrazine [N—N—C—C torsion angle = −170.74 (11)°] and benzoyl benzene [N—C—C—C = −21.72 (18)°] rings. The sulfonyl benzene ring occupies a position almost normal to the rest of the mol­ecule [C—S—C—N = −92.28 (10)°]. Centrosymmetric aggregates mediated by pairs of hydrazide–sulfonyl N—H⋯O hydrogen bonds are the predominant packing motif in the crystal. These are connected into linear supra­molecular chains via C—H⋯O inter­actions which are, in turn, linked into layers in the ac plane via C—H⋯π inter­actions. Connections between layers along the b-axis direction are of the π–π type and occur between centrosymmetrically related hydrazine-bound benzene rings [centroid–centroid separation = 3.7425 (9) Å]

(1Z,2E)-N′-{2-Chloro-1-methyl-2-[2-(4-methyl­phen­yl)hydrazin-1-yl­idene]ethyl­idene}-4-meth­oxy­benzohydrazide

The asymmetric unit of the title compound, C18H19ClN4O2, contains two mol­ecules, in which the dihedral angles between the benzene rings are 43.60 (12) and 58.65 (13)°. The hydrazine N atoms are twisted slightly out of the planes of the tolyl and meth­oxy­benzene rings: the C—C—N—N and N—N—C—C torsion angles are 171.1 (2) and −174.4 (2)°, respectively, for one mol­ecule and −177.4 (2) and −170.6 (2)°, respectively, for the other. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds into chains propagating along the b-axis direction

1-(4-Methyl­phen­yl)-2-(phenyl­sulfon­yl)ethanone

In the title compound, C15H14O3S, the benzene and phenyl rings make a dihedral angle of 33.56 (16)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into a layer parallel to the ab plane

1-(4-Bromo­phen­yl)-2-(phenyl­sulfon­yl)ethanone

The overall conformation of the title mol­ecule, C14H11BrO3S, is L-shaped, as seen in the value of the dihedral angle formed between the terminal benzene rings of 75.44 (13)°. The presence of C—H⋯O inter­actions leads to the formation of linear supra­molecular chains along the a-axis direction in the crystal structure. These are connected into supra­molecular arrays in the ab plane via C—H⋯π contacts

3-Acetyl-5-methyl-1-(4-methyl­phen­yl)-1H-pyrazole-4-carboxamide

In the title compound, C14H15N3O2, the phenyl­ene ring is disordered over two orientations. As a result, the almost planar pyrazole ring (r.m.s. deviation = 0.004 Å) forms dihedral angles of 59.8 (1) and −61.9 (1)° with the two orientations of the phenyl­ene ring. The dihedral angle between the two orientations is 59.2 (1)°. In the crystal, inversion dimers lined by pairs of N—H⋯O hydrogen bonds occur; there is also an intramolecular N—H⋯O bond

Ethyl 1-(4-methyl­phen­yl)-5-phenyl-4-phenyl­sulfon­yl-1H-pyrazole-3-carboxyl­ate

The title compound, C25H22N2O4S, features a tetra-substituted pyrazole ring. The dihedral angles formed between the five-membered ring (r.m.s. deviation = 0.007 Å) and the N- and C-bound phenyl rings are 48.10 (7) and 72.01 (7) °, respectively, indicating that the planes through the residues are significantly twisted from the plane through the heterocycle. The ester-CO2 group is also twisted out of this plane, with an O—C—C—N torsion angle of −29.04 (11)°. The sulfonyl-O atoms lie to one side of the pyrazole plane and the sulfonyl­phenyl ring to the other. The dihedral angle between the two ring planes is 70.63 (7) °. Supra­molecular arrays are formed in the crystal structure sustained by C—H⋯O and C—H⋯π(pyrazole) inter­actions and methyl-C—H⋯π(N-bound benzene) contacts

2-(6-Phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-3-yl)-1,3-benzothia­zole

In the title compound, C17H11N5S2, the dihedral angles formed between the triazole ring and the benzene ring and the 1,3-benzothia­zole ring system are 8.67 (8) and 13.90 (9)°, respectively. The conformation of the triazolo-thia­diazin-3-yl fused ring system is a twisted half-chair. Overall, the mol­ecule adopts a flattened shape. Supra­molecular helical chains along the a axis sustained by C—H⋯N inter­actions are found in the crystal structure. These are linked via C—H⋯π contacts as well as π–π [centroid–centroid distance = 3.5911 (12) Å] inter­actions between the triazole and thia­zole rings

(Z)-2-(4-Chloro­benzyl­idene)benzo[d]thia­zolo[3,2-a]imidazol-3(2H)-one

The mol­ecule of the title compound, C16H9ClN2OS, is approximately planar, the dihedral angle between the thia­zolo[3,2-a]benzimidazole ring system and the 4-chloro­phenyl ring being 2.10 (5)°. An intra­molecular C—H⋯S inter­action generates an S(6) ring motif. In the crystal, mol­ecules are stacked into columns along the b axis by π–π inter­actions with centroid–centroid distances of 3.6495 (7)–3.9546 (8) Å

3,4,7-Trimethyl-2-(4-methyl­phen­yl)-2H-pyrazolo­[3,4-d]pyridazin-5-ium thio­cyanate

1,1′-[5-Methyl-1-(4-methyl­phen­yl)-1H-pyrazole-3,4-di­yl)di­ethan­one condenses with thio­semicarbazide in the presence of acetic acid to form the title salt, C15H17N4 +·NCS−. The fused-ring system of the cation is almost planar (r.m.s. deviation = 0.020 Å) and the aromatic substituent is aligned at an angle of 48.2 (1)° with respect to the mean plane of the fused-ring system. The N atom at the 5-position is protonated and forms a N—H⋯N hydrogen bond to the thio­cyanate cointer-ion