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

Abstract

X-ray for the crystal Bruker X-ray diffractometer (SMART APEX) α radiation. Crystal data The structure intrinsic with SHELXT-2014, methods Hydrogen atoms at their calculated the A dinuclear copper(II) carboxylate with 2,3,6-trimethoxybenzoic acid (H236-tmbz), tetrakis( μ -2,3,6-trimethoxybenzoato-κ O : κ O ′ )bis[(methanol)copper(II)], [Cu 2 (236-tmbz) 4 (CH 3 OH) 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 P 1 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)Å 3 , D x = 1.580 g/cm 3 , and Z = 1. The R 1 [ I > 2 σ ( I )] and wR 2 (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 ( f rot ) of 74.9(2) and 44.6(3) ° .