Abstract

Three new salts of 2-methyl-3-nitroaniline (L) with inorganic acids are presented, (HL)I (1), (HL)Br (2), (HL)Cl·H2O (3). The ammonio group and respective anions form hydrogen bonds which are most important interactions arranged in 2D or 1D network. Hydrogen bonding patterns are analysed by means of graph-set approach and mathematical interrelations between graph-set descriptors are shown. Vibrational spectra were interpreted based on theoretical calculations for the [(HL)Br4]3– and [(HL)Cl4·H2O]3– anions and potential energy distribution analysis. A strength of hydrogen bonds in the crystals was assessed in a series of compounds 1 > 2 >3. Collection of several vibrational literature data revealed that noticeable blue-shift of the νsNO2 band appears only for the ONO2···π(N)NO2 interaction formed by perpendicularly oriented nitro groups.

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