Crystal Structure of Tetrakis(μ-2,3,6-trimethoxybenzoato-κO:κO′)bis[(methanol)copper(II)]: Largely Rotated Benzoate Ring to the Carboxylato Bridge

Abstract

A dinuclear copper(II) carboxylate with 2,3,6-trimethoxybenzoic acid (H236-tmbz), tetrakis(μ-2,3,6-trimethoxybenzoato-κO:κO′)bis[(methanol)copper(II)], [Cu₂(236-tmbz)₄(CH₃OH)₂], was prepared, and the crystal structure was determined by a single-crystal X-ray structure analysis at 90 K. It crystallizes in the triclinic space group P1 with a = 7.4282(11)Å, b = 12.2389(18)Å, c = 13.3158(19)Å, α = 115.128(2)°, β = 95.396(3)°, γ = 91.086(2)°, V = 1088.8(3)ų, D_x = 1.580 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0513 and 0.1207, respectively, for all 4894 independent reflections. The two copper atoms are bridged by four 2,3,6-trimethoxybenzoato ligands in a syn-syn mode to form a dinuclear cluster (Cu···Cu 2.6071(8)Å) with the apical methanol molecules. The benzoate phenyl rings are largely rotated to the bridging OCO moieties with a rotation angle (ϕ_rot) of 74.9(2) and 44.6(3)°.