ABSTRACT
In the title mol-ecule, C(19)H(19)ClN(4)OS, the 1,2,4-triazole ring forms dihedral angles of 86.0â (2) and 65.6â (2)° with the phenyl and chloro-phenyl rings, respectively. In the crystal, inter-molecular N-Hâ¯S and N-Hâ¯O hydrogen bonds link mol-ecules into centrosymmetric dimers, which are further linked into chains in [001] via weak C-Hâ¯π inter-actions.
ABSTRACT
In the crystal structure of the title compound, C(5)H(3)Cl(3)N(4)S, two mol-ecules related by a centre of symmetry demonstrate extremely short inter-molecular Sâ¯N contacts of 2.783â (2)â Å. The crystal packing also exhibits π-π inter-actions indicated by a short distance of 3.340â (1)â Å between the centroids of the triazole rings of neighbouring mol-ecules.
ABSTRACT
In the title compound, C(25)H(21)N(5)O(3)S·CH(2)Cl(2), the dichloro-methane solvent mol-ecule is disordered over four positions, with an occupancy ratio of 0.271â (3):0.3884â (18):0.298â (2):0.0424â (15). The 1,2,4-triazole ring makes dihedral angles of 47.3â (2)/87.3â (2) and 3.6â (2)° with the phenyl and nitro-phenyl rings, respectively. An intra-molecular C-Hâ¯S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051â (2)â Å]. Inter-molecular C-Hâ¯O hydrogen bonding consolidates the structure.
ABSTRACT
In the title compound, C(14)H(9)BrN(2), the benzene and quinoxaline rings are almost coplanar [r.m.s. deviation = 0.0285â (3)â Å and dihedral angle = 2.1â (2)°].