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Synthesis,Crystal Structure and Thermal Analysis of N-(2,3-Dimethyl-phenyl)-N'-(methoxyl formyl)thiourea 被引量:3

Synthesis,Crystal Structure and Thermal Analysis of N-(2,3-Dimethyl-phenyl)-N'-(methoxyl formyl)thiourea
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摘要 N-(2,3-Dimethyl-phenyl)-N'-(methoxyl formyl)thiourea was synthesized by the reacting of 2,3-dimethylaniline,potassium thiocyanate(KSCN) and methyl chloroformate(ClCOOCH 3).Single crystal was obtained by slowly evaporation solvent at room temperature.The structure was characterized by elemental analysis,IR and X-ray crystalography.The compound crystallized:a triclinic system with space group Pī,a=0.83440(12) nm,b=0.89113(13) nm,c=0.93015(13) nm,α=76.548(2) o,β=63.906(2) o,γ=82.538(2) o,V=0.60379(15) nm 3,Z=2,D c =1.311 mg/m 3,F(000)=252,μ=0.256 mm-1,R 1 =0.0379,wR 2 =0.0919.The specific heat capacity of the title compound was determined by a Micro-DSC method,and the specific heat capacity was 1.25 J·g-1 ·K-1 at 298.15 K.Thermodynamic functions,relative to those at the standard temperature of 298.15 K,were calculated via thermodynamic relationship.The thermal behavior of the title compound under a non-isothermal condition was studied by differential scanning calorimetry/thermogravimetric(DSC/TG) method.There was an obvious endothermic peak in the DSC curve,the peak temperature was 479.43 K.The compound mass loss was 89.94% observed from the TG curve. N-(2,3-Dimethyl-phenyl)-N'-(methoxyl formyl)thiourea was synthesized by the reacting of 2,3-dimethylaniline,potassium thiocyanate(KSCN) and methyl chloroformate(ClCOOCH 3).Single crystal was obtained by slowly evaporation solvent at room temperature.The structure was characterized by elemental analysis,IR and X-ray crystalography.The compound crystallized:a triclinic system with space group Pī,a=0.83440(12) nm,b=0.89113(13) nm,c=0.93015(13) nm,α=76.548(2) o,β=63.906(2) o,γ=82.538(2) o,V=0.60379(15) nm 3,Z=2,D c =1.311 mg/m 3,F(000)=252,μ=0.256 mm-1,R 1 =0.0379,wR 2 =0.0919.The specific heat capacity of the title compound was determined by a Micro-DSC method,and the specific heat capacity was 1.25 J·g-1 ·K-1 at 298.15 K.Thermodynamic functions,relative to those at the standard temperature of 298.15 K,were calculated via thermodynamic relationship.The thermal behavior of the title compound under a non-isothermal condition was studied by differential scanning calorimetry/thermogravimetric(DSC/TG) method.There was an obvious endothermic peak in the DSC curve,the peak temperature was 479.43 K.The compound mass loss was 89.94% observed from the TG curve.
出处 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2012年第2期230-233,共4页 高等学校化学研究(英文版)
基金 Supported by the National Natural Science Foundation of China(No.20571060) the Natural Science Foundation of Shaanxi Province,China(No.2007B08)
关键词 X-Ray diffraction ACYLTHIOUREA Crystal structure Specific heat capacity Thermal behavior X-Ray diffraction Acylthiourea Crystal structure Specific heat capacity Thermal behavior
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