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1.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): o1922, 2011 Aug 01.
Article in English | MEDLINE | ID: mdl-22090969

ABSTRACT

In the title mol-ecule, C(19)H(19)ClN(4)OS, the 1,2,4-triazole ring forms dihedral angles of 86.0 (2) and 65.6 (2)° with the phenyl and chloro-phenyl rings, respectively. In the crystal, inter-molecular N-H⋯S and N-H⋯O hydrogen bonds link mol-ecules into centrosymmetric dimers, which are further linked into chains in [001] via weak C-H⋯π inter-actions.

2.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1093, 2011 May 01.
Article in English | MEDLINE | ID: mdl-21754413

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 S⋯N contacts of 2.783 (2) Å. The crystal packing also exhibits π-π inter-actions indicated by a short distance of 3.340 (1) Šbetween the centroids of the triazole rings of neighbouring mol-ecules.

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 11): o3135, 2011 Nov.
Article in English | MEDLINE | ID: mdl-22220137

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 0.271 (3):0.3884 (18):0.298 (2):0.0424 (15). The 1,2,4-triazole ring makes dihedral angles of 47.3 (2)/87.3 (2) and 3.6 (2)° with the phenyl and nitro-phenyl rings, respectively. An intra-molecular C-H⋯S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051 (2) Å]. Inter-molecular C-H⋯O hydrogen bonding consolidates the structure.

4.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 6): o1380, 2010 May 19.
Article in English | MEDLINE | ID: mdl-21579461

ABSTRACT

In the title compound, C(14)H(9)BrN(2), the benzene and quinoxaline rings are almost coplanar [r.m.s. deviation = 0.0285 (3) Šand dihedral angle = 2.1 (2)°].

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