Synthesis and Crystal Structure of a New Mononuclear Copper( Ⅱ ) Complex: [Cu(BMI)_4(SO_4)]·DMF·2H_2

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A new copper(II) complex, [Cu(BMI)4(SO4)]?DMF?2H2O (BMI = benzimida- zole), has been synthesized by the treatment of CuCN with 2-mercaptobenzimidazole in the presence of 1,10-phenanthroline, and characterized by single-crystal X-ray diffraction. It crystalli- zes in monoclinic, space group P21/n with a = 17.6260(4), b = 11.1252(3), c = 18.6573(4) ?, β = 107.9010(10)°, V = 3481.45(14) ?3, Z = 4, C31H35CuN9O7S, Mr = 741.28, F(000) = 1540, Dc = 1.414 g/cm3, μ = 0.746 mm–1, the final R = 0.0649 and wR = 0.1609 for 4382 observed reflections with I > 2σ(I). The Cu(II) atom is coordinated by five unidentate ligands (one sulfate and four benzimidazole ligands) generated in situ, displaying a slightly distorted square pyramid geometry. A new copper (II) complex, [Cu (BMI) 4 (SO4)] • DMF • 2H2O (BMI = benzimidazole) has been synthesized by the treatment of CuCN with 2-mercaptobenzimidazole in the presence of 1,10- phenanthroline, and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic space group P21 / n with a = 17.6260 (4), b = 11.1252 (3), c = 18.6573 (4) The final R = 107.9010 (10) °, V = 3481.45 (14)? 3, Z = 4, C31H35CuN9O7S, Mr = 741.28, F (000) = 1540, Dc = 1.414 g / cm3, 0.0649 and wR = 0.1609 for 4382 observed reflections with I> 2σ (I). The Cu (II) atom is coordinated by five unidentate ligands (one sulfate and four benzimidazole ligands) generated in situ, displaying a slightly distorted square pyramid geometry.
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