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Journal of Structural Chemistry

2013 year, number 6


J.-J. Ma
Hebei Key Laboratory of Bioinorganic Chemistry, College of Sciences, Agricultural University of Hebei, Baoding 071001, P. R. China
Keywords: benzohydrazone, Schiff base, hydrogen bonding, π⋯π interaction


Two new solvated benzohydrazone derivatives N'-(4-hydroxy-3-nitrobenzylidene)-3-methylbenzohydrazidemethanolwater (2/1/1) 2(C 15H 13N 3O 4)×CH 3OH×H 2O (1) and N'-(4-dimethylaminobenzylidene)-3-methylbenzohydrazide methanol monosolvate C 17H 19N 3O×CH 3OH (2) are prepared and characterized by elemental analysis, 1H and 13C NMR, and single crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic space group P2 1/ c with unit cell dimensions a = 17.084(2) Å, b = 12.706(1) Å, c = 15.412(1) Å, β = 113.207(1), V = 3074.1(4) Å 3, Z = 4, R 1 = 0.0567, and wR 2 = 0.1209. Compound 2 crystallizes in the monoclinic space group P2 1/ n with unit cell dimensions a = 15.058(1) Å, b = 6.658(1) Å, c = 17.211(2) Å, β = 94.189(2), V = 1720.8(3) Å 3, Z = 4, Rsub>1 = 0.0611, and wR 2 = 0.1594. X-ray diffraction indicates that the asymmetric unit of 1 contains two independent benzohydrazone molecules, one methanol and one water molecules. The asymmetric unit of 2 contains one benzohydrazone molecule and one methanol molecule. Benzohydrazone molecules of the compounds display trans configurations with respect to the C=N double bonds. The crystal structures of the compounds are stabilized by hydrogen bonds and weak π⋯π interactions.