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The (SCZ)(TNPG)·2H2O prepared by mixing semicarbazide (SCZ) and trinitro- phloroglucinol (TNPG) was characterized by elemental analysis and IR measurement, and its crystal structure was determined by X-ray single-crystal diffraction analysis. The crystal belongs to triclinic, space group P1 , (NH2CONHNH3)+(C6H2N3O9)-?2H2O, Mr = 372.23, a = 0.68853(14), b = 0.93966(19), c = 1.1925(2) nm, α = 67.48(3), β = 77.56(3), γ = 78.93(3)o, V = 0.6908(2) nm3, Z = 2, Dc = 1.789 g/cm3, Mr = 373.23, F(000) = 384, S = 0.999 and μ(MoKα) = 0.172 mm-1. The final R and wR are 0.0394 and 0.1057 for 1724 observed reflections with I > 2σ(I). It is concluded that (SCZ)(TNPG)·2H2O is an ionic compound composed of a cation SCZ+, an anion TNPG- and two water molecules. The TNPG- anion and SCZ+ cation are bonded together by electrostatic attraction and hydrogen bonds, and the compound structure is stable. The thermal decomposition of (SCZ)(TNPG)·2H2O was studied by using TG-DTG and DSC techniques with a heating rate of 10 ℃/min, showing the compound contains one endothermic process of dehydrating stage and two intensive exothermic decomposition stages. The enthalpy of exothermic decomposition reaction is 452.31 kJ/mol.
The (SCZ) (TNPG) · 2H2O prepared by mixing semicarbazide (SCZ) and trinitro- phloroglucinol (TNPG) was characterized by elemental analysis and IR measurement, and its crystal structure was determined by X-ray single-crystal diffraction analysis. The crystal belongs to triclinic, space group P1, (NH2CONHNH3) + (C6H2N3O9) -2H2O, Mr = 372.23, a = 0.68853 (14), b = 0.93966 (19), c = 1.1925 (2) nm, ), β = 77.56 (3), γ = 78.93 (3) o, V = 0.6908 (2) nm3, Z = 2, Dc = 1.789 g / cm3, Mr = 373.23, F (000) = 384, S = 0.999 and μ (MoKα) = 0.172 mm-1. The final R and wR are 0.0394 and 0.1057 for 1724 observed reflections with I> 2σ (I). It is said that (SCZ) (TNPG) · 2H2O is an ionic compound composed of The TNPG-anion and SCZ + cation are bonded together by electrostatic attraction and hydrogen bonds, and the compound structure is stable. The thermal decomposition of (SCZ) (TNPG) · 2H2O was studied by using TG-DTG and DSC techniques with a The heating rate of 10 ° C / min, showing the compound contains one endothermic process of dehydrating stage and two intensive exothermic decomposition stages. The enthalpy of exothermic decomposition reaction is 452.31 kJ / mol.