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中国化学

Thermal Properties and Crystal Structure of Co-N’-(1,2,4-triazol-5-thionel)-N-benzoylthiourea ZHANG PengJuan a,*, HUANG Jie a,*, BAN QiXun a , XU JiFu b a Department of Chemical Engineering/ Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi’an 710069, China b YanKuang International Coking Companylimited?, ShanDong , China Co-N′-(1,2,4-triazol-5-thionel)-N-p-methoxybenzoylthiourea was synthesized by the reaction of N′-(1,2,4-triazol-5-thionel)-N-benzoylthiourea, Single crystals suitable for X-ray measurement were obtained by recrystallization with the mixture solvent of dimethyl formamide, ethanol and distilled water at roomtemperature. The crystal structure was determined by X-ray diffraction analysis. Crystallographic data: C22H22CoN10O4S4, Mr =677.67, Monoclinic, space group P2(1)/c with a=0.9715(5)nm, b=2.1581(11)nm, c=0.6945(4) nm, V=1.4173(12)nm3, R1=0.0548and wR2=0.1467。The specific heat capacity of the title compound was determined with continuous Cp mode of mircocalorimeter. The thermal behavior of the title compound was studied under a non-isothermal condition by DSC method. Keywords Co-N′-(1,2,4-triazol-5-thionel)-N-benzoylthiourea, synthesis, crystal structure, specific heat capacity Introduction Because of the excellent anti-bacterium, favorable bioactivity and structure stabilization, many thiourea compounds as a new-style pesticide are been studied and synthesized for these years[1]. In recent years, acylthioureas were proved that they also can be used to prevent viral[2], especially. Through years’of research on these compounds, we found that these thioureas have several active centers and can form polyligand complexes with metals easily[3-5]. These metals complexes are broadly useful[6]. So, research on acylthiourea is of broad developable foreground. In this paper, we report the synthesiss, crystal structure, specific heat capacity and thermal behavior of Co-N′-(1,2,4-triazol-5-thionel)-N-p-Methoxybenzoylth

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