Abstract
The structures of 1,2,4-triazolium chloride (C 2 H 4 N 3 )Cl and its derivative with antimony trichloride - (C 2 H 4 N 3 ) 2 [SbCl 5 ] · (C 2 H 4 N 3 )Cl containing unsubstituted 1,2,4-triazolium cations were determined. (C 2 H 4 N 3 )Cl crystallizes in the monoclinic system, space group P2 1 /n with the unit cell dimensions at 86 K: a = 9.425(2), b = 8.557(2), c = 11.158(2)Å , β = 95.87(3)°; V = 895.2(3)Å 3 , Z=8, dc = 1.566, d m = 1.56(2) g·cm -3 .At roomtemperature, crystals of (C 2 H 4 N 3 ) 2- [SbCl 5 ] · (C 2 H 4 N 3 )Cl are orthorhombic, space group P2 1 2 1 2 1 , a = 8.318(2), b = 11.381(2), c = 19.931(4) Å, V = 1886.8(7) Å 3 , Z = 4, d c = 1.917, d m = 1.91(2) g·cm -3 . In both crystals the 1,2,4-triazole rings are planar. The anionic sublattice of (C 2 H 4 N 3 ) 2 [SbCl 5 ]·(C 2 H 4 N 3 )Cl consists of polymeric [SbCl 5 ] n 2- zig-zag chains composed of distorted [SbCl 6 ] 3- octahedra connected via their vertices and the single Cl - anions. The cavities between the inorganic chains are filled by 1,2,4-triazolium cations. The nature of the distortion of the [SbCl 6 ] 3- polyhedra has been studied by examining correlations between the Sb-Cl bond lengths and the strength of hydrogen bonds, which join the anionic sublattice and the organic cations. This study confirms that the deformation of the [SbCl 6 ] 3- octahedra is caused by hydrogen bonds.