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Synthesis and Crystal Structure of [Mn(DPMT)_2Cl_2(H_2O)_2]

Synthesis and Crystal Structure of [Mn(DPMT)_2Cl_2(H_2O)_2]
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摘要 The title compound [Mn(DPMT)2Cl2(H2O)2] (DPMT = 1-[[2-(2,4-dichlorophenyl)- 1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole) was synthesized by the reaction of MnCl2·4H2O and DPMT in ethanol solution and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 23.913(4), b = 7.8883(13), c = 8.6291(14)A, β = 95.816(3)°, V = 1619.4(5)A^3, Z = 2, C24H26Cl6MnN6O6, Mr = 762.15, Dc = 1.563 g/cm^3, μ = 0.950 mm^-1, S = 1.045, F(000) = 774, R = 0.0462 and wR = 0.0981. The molecular structure is a centrosymmetric conformation, and two ligands are symmetrically located on both sides of the Mn atom. The manganese atom is surrounded by two nitrogen atoms from ligands, two chlorine atoms and two oxygen atoms from water molecules to form a slightly distorted octahedral geometry. The title compound [Mn(DPMT)2Cl2(H2O)2] (DPMT = 1-[[2-(2,4-dichlorophenyl)- 1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole) was synthesized by the reaction of MnCl2·4H2O and DPMT in ethanol solution and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 23.913(4), b = 7.8883(13), c = 8.6291(14)A, β = 95.816(3)°, V = 1619.4(5)A^3, Z = 2, C24H26Cl6MnN6O6, Mr = 762.15, Dc = 1.563 g/cm^3, μ = 0.950 mm^-1, S = 1.045, F(000) = 774, R = 0.0462 and wR = 0.0981. The molecular structure is a centrosymmetric conformation, and two ligands are symmetrically located on both sides of the Mn atom. The manganese atom is surrounded by two nitrogen atoms from ligands, two chlorine atoms and two oxygen atoms from water molecules to form a slightly distorted octahedral geometry.
机构地区 College of Science
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第9期1009-1012,共4页 结构化学(英文)
基金 This work was supported by the Natural Science Foundation of Jiangsu Province (No. BK200594) Science and Technology Development Foundation of Nanjing Agricultural University
关键词 Mn(Ⅱ) complex DPMT SYNTHESIS crystal structure Mn(Ⅱ) complex, DPMT, synthesis, crystal structure
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