In the title compound, C(17)H(11)N(5)S(2), the dihedral angles formed between the triazole ring and the benzene ring and the 1,3-benzothia-zole ring system are 8.67 (8) and 13.90 (9)°, respectively. The conformation of the triazolo-thia-diazin-3-yl fused ring system is a twisted half-chair. Overall, the mol-ecule adopts a flattened shape. Supra-molecular helical chains along the a axis sustaine...

In the title mol-ecule, C(21)H(17)Cl(2)N(3)O, the benzotriazole ring is oriented at dihedral angles of 48.72 (6) and 62.94 (5)°, respectively, to the phenyl and benzene rings and the dihedral angle between the phenyl and benzene rings is 88.95 (6)°. In the crystal, weak C-H⋯N hydrogen bonds link the mol-ecules into chains. π-π contacts between the triazole and benzene rings [centroid-centroid d...

The asymmetric unit of the title compound, C17H21N5O2, contains two crystallographically independent mol-ecules, which are linked by a C-H⋯N hydrogen bond. The morpholine rings of both mol-ecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings are 12.8 (3)° in the first independent molecule in which the -N=C- group between the morpholine and benze...

Two crystallographically independent mol-ecules, A and B, with similar conformations are present in the asymmetric unit of the title compound, C(18)H(16)F(2)N(4)O(4). In mol-ecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4-difluoro-meth-oxy-substituted and the 3,4-dimeth-oxy-substituted benzene rings by 6.5 (2) and 16.4 (1)°, respectively. The -CHF(2) group is twisted a...

In the title compound, C(13)H(12)N(4)OS, the dihedral angle between the triazole and naphthalene ring systems is 67.42 (5)°. In the crystal, adjacent mol-ecules are linked via two pairs of inter-molecular N-H⋯S inter-actions, forming R(2) (2)(8) and R(2) (2)(10) ring motifs. Weak C-H⋯S inter-actions generate infinite chains along [001] and the structure is further consolidated by C-H⋯π bonds an...

The title salt, C(8)H(10)N(5) (+)·Br(-), crystallizes with two independent structural units in the asymmetric unit. The two independent cations have different conformations, the triazole and phenyl rings forming dihedral angles of 32.57 (6) and 52.27 (7)°. In both cations, the amino groups are planar (the sum of the angles at the N atom of each amino group is 360°) and conjugated with the triaz...

In the title mol-ecule, C(21)H(15)ClN(4)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.054 (2) Å and a maximum deviation of 0.098 (2) Å from the mean plane for the triazole ring C atom that is bonded to the thia-zole ring. The thia-zole and benzene rings are twisted by 66.36 (7) and 56.32 (7)°, respectively, with respect to the mean plane of the t...

The title compound, 2C9H9N3·HClO4, was prepared by reaction of 1-benzyl-1H-1,2,4-triazole and HClO4 in ethanol at room temperature. The asymmetric unit consists of two mol-ecules of 1-benzyl-1H-1,2,4-triazole and one of HClO4 mol-ecule. The benzene and triazole rings make dihedral angles of 85.45 (8) and 84.76 (8)° in the two mol-ecules. The H-atom position of the perchloric acid mol-ecule is s...

The structure of the title compound, C(14)H(12)N(4)O(2), was determined as part of a project on the coordination chemistry of 1,2,4-triazole derivatives. In the crystal structure, one of the two benzene rings is almost coplanar with the five-membered triazole ring (mean deviation = 0.019 Å), whereas the second benzene ring is rotated by 51.973 (2)°. The two N-C-N-N torsion angles [170.365 (2) a...

In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine mol-ecule is essentially planar; the phenyl ring makes a dihedral angle of 2.3 (2)° with the mean plane of the 1,2,4-triazole ring. In the 5-phenyl-1,2,4-triazol-3-amine tautomer, t...