Search

The title compound, C(13)H(12)N(6)O, is a functionalized ditriazoloquinazoline with substituted eth-oxy and methyl groups attached at the 2-position of each triazole spacer. The fused-ring system is essentially planar [r.m.s. deviation = 0.016 (2) Å]. In the crystal, a weak C-H⋯N hydrogen bond connects the mol-ecules into a chain along [101].

In the crystal structure of the title compound, C(30)H(24)N(4)O(2)S, the dihydro-quinoxaline 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 mol-ecules, forming supra-molecular chains running along the a axis.

In the title compound, C(27)H(21)N(3)O(2), the non-H atoms of the meth-oxy-phenyl-acryloyl substitutent of the pyrazolyl ring are almost co-planar (r.m.s. deviation = 0.070 Å), and the mean plane is twisted by 18.7 (1)° with respect to the pyrazolyl ring. The phenyl and tolyl substituents are aligned at 48.9 (1) and 44.5 (1)° with respect to the pyrazolyl ring. Weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonding is present in the crystal structure.

1,1'-[5-Methyl-1-(4-methyl-phen-yl)-1H-pyrazole-3,4-di-yl)di-ethan-one condenses with thio-semicarbazide in the presence of acetic acid to form the title salt, C(15)H(17)N(4) (+)·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 thio-cyanate cointer-ion.

The indoline fused-ring system of the title Schiff base, C(14)H(11)N(3)O, is planar (r.m.s. deviation = 0.005 Å); the phenyl substituent is aligned at 66.5 (1)° with respect to the ring system. The amino -NH(2) unit forms an intra-molecular hydrogen bond with the carbonyl O atom. Mol-ecules are connected by an inter-molecular N-H⋯N hydrogen bond, generating a zigzag chain that runs along the short c axis of the unit cell.

In the title compound, C(14)H(15)N(3)O(2), the phenyl-ene 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 phenyl-ene 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.

In the asymmetric unit of the title compound, C(19)H(27)ClN(4)O·0.5C(2)H(6)O·1.5H(2)O, there are two mol-ecules of the Schiff base, which has a rigid adamantyl cage at one end of the C(= O)NH-N=CH- chain and an almost planar [torsion angles = 1.3 (1) and 7.9 (2)° imidazolyl ring at the other end, three mol-ecules of water and one mol-ecule of ethanol. In both independent mol-ecules of the Schiff base, this chain displays an extended zigzag configuration. All their amino groups function as hydrogen-bond donors to water mol-ecules; these are linked to other acceptor atoms, generating a layer structure. O-H⋯O and O-H⋯N inter-actions involving the water mol-ecules also occur.

The title compound, C(25)H(35)N(5)OS, is a functionalized triazoline-3-thione with substituted piperazine and adamantyl substituents attached at the 2- and 5-positions, respectively, of a triazole spacer with an approximately C-shaped conformation of the mol-ecule. The piperazine ring adopts a chair conformation.