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

• MIKURIYA Masahiro

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

• YAMAKAWA Chihiro

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

• TANABE Kensuke

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

• NUKITA Raigo

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

• YOSHIOKA Daisuke

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

• MITSUHASHI Ryoji

  Institute of Liberal Arts and Science, Kanazawa University

• HANDA Makoto

  Department of Chemistry, Graduate School of Natural Science and Technology, Shimane University

• TSUBOI Motohiro

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

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)°.

Journal

• X-ray Structure Analysis Online

  X-ray Structure Analysis Online 37 (0), 49-51, 2021-09-10

  The Japan Society for Analytical Chemistry

Keywords

• Materials Chemistry
• Analytical Chemistry

Details

• CRID: 1390289332388457088
• NII Article ID: 130008087515
• DOI: 10.2116/xraystruct.37.49
• ISSN: 18833578
• Web Site: https://www.jstage.jst.go.jp/article/xraystruct/37/0/37_49/_pdf
• Text Lang: en
• Data Source:
  • JaLC
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed