Synthesis and Crystal Structure of Bis(barbiturato) triwater Complex of Copper(Ⅱ) |
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引用本文: | 杨文斌,卢灿忠,吴传德,吴鼎铭,卢绍芳,庄鸿辉.Synthesis and Crystal Structure of Bis(barbiturato) triwater Complex of Copper(Ⅱ)[J].结构化学,2003,22(3):270-274. |
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作者姓名: | 杨文斌 卢灿忠 吴传德 吴鼎铭 卢绍芳 庄鸿辉 |
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作者单位: | State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,The Chinese Academy of Sciences,Fuzhou,Fujian 350002,China |
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基金项目: | This work was supported by the Chinese Academy of Sciences,the NNSFC (20073048) and NSF of Fujian province |
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摘 要: | 1 INTRODUCTION A variety of transition metal complexes with barbiturates have been prepared owing to their important roles in clinical detection and identi- fication of drug1~5]. They have the general formula of M(Ⅱ)(barb)2L2, where M is a transition metal (Co, Cr, Zn, Cu etc), barb the anion of a substituted barbituratic acid and L an organic base, usually pyridine. In these complexes, the donor atom in the barbiturate anion is a deprotonated nitrogen atom and, the coordination …
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关 键 词: | barbital complexes copper (Ⅱ) complex crystal structure |
Synthesis and Crystal Structure of Bis(barbiturato)triwater Complex of Copper(Ⅱ) |
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Abstract: | The crystal structure of the bis(barbiturato)triwater copper( Ⅱ ) complex formulated as Cu(barb)2(HO2)3 (barb = barbiturato) has been determined by single-crystal X-ray diffraction.The analysis was carried out by direct and Fourier methods and the structure was refined by full-matrix least-square computations. The title compound crystallizes in orthorhombic, space group Fdd2 with a = 11.691(1), b = 30.200(4), c = 7.1901(9) (A), V = 2538.7(5) (A)3, Z = 8,C8H12CuN4O9, Mr= 371.76, Dc = 1.945 g/cm3,μ(MoKα) = 1.781 mm-1, F(000) = 1512, the final R = 0.0347 and wR = 0.0766 for 827 observed reflections (Ⅰ> 2o(Ⅰ)). The copper atom is squarepyramidally bonded to the exocyclic oxygen atoms of the barbital anions (Cu-O, 1.976(3)) and the water molecules (Cu-O, 1.926(4) and 2.164(7)(A)). The molecules are held together to form an extensive three-dimensional network via O-H… O and N-H…O hydrogen-bonded contacts. |
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Keywords: | barbital complexes crystal structure |
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