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Journal of Structural Chemistry

2012 year, number 1

CRYSTAL STRUCTURES OF TETRAFLUOROANTIMONATES(III) OF SINGLE AND DOUBLE PROTONATED 3-AMINO-1,2,4-TRIAZOLIUM CATIONS

A. A. Udovenko, N. V. Makarenko, R. L. Davidovich, L. A. Zemnukhova, E. V. Kovaleva
Keywords: X-ray crystallography, crystal structure, tetrafluoroantimonate(III), 3-amino-1, 2, 4-triazolium, hydrogen bond
Pages: 110-116

Abstract

Crystal structures are determined by X-ray crystallography for tetrafluoroantimonates(III) of single and double protonated 3-amino-1,2,4-triazolium cations of the composition (C2H5N4)SbF4 (I) (monoclinic: a = 4.7723(6) Å, b = 19.643(2) Å, c = 7.6974(9) Å, β = 97.239(2)°, Z = 4, Cc space group) and (C2H6N4)(SbF4)2 (II) (monoclinic: a = 4.7617(3) Å, b = 15.512(1) Å, c = 7.4365(5) Å, β = 107.706(1)°, Z = 2, P21/n space group). The structure of I is built from complex [SbF4] anions and single charged (C2H5N4)+ cations; the structure of II is built from the same anion and double charged 3-amino-1,2,4-triazolium cation: (C2H6N4)2+. In the structure, weak interactions Sb⋯F join the anions in polymeric layers [SbF4] that are assembled in a 3D framework by N-H⋯F hydrogen bonds. The formation of the double protonated 3-amino-1,2,4-triazolium cation (C2H6N4)2+, found in the crystal structure of II, is observed for the first time.