Synthesis and Crystal Structure of 1,4,7-Tris(2-mercaptoethyl)-1,4,7-triazacyclononane

• MIKURIYA Masahiro

  Department of Applied Chemistry for Environment and Research Center for Coordination Molecule-based Devices, School of Science and Technology, Kwansei Gakuin University

• MIYOSHI Kazufumi

  Department of Applied Chemistry for Environment and Research Center for Coordination Molecule-based Devices, School of Science and Technology, Kwansei Gakuin University

• KURANO Shuhei

  Department of Applied Chemistry for Environment and Research Center for Coordination Molecule-based Devices, School of Science and Technology, Kwansei Gakuin University

• TAGUCHI Jun

  Department of Applied Chemistry for Environment and Research Center for Coordination Molecule-based Devices, School of Science and Technology, Kwansei Gakuin University

• KOTERA Takanori

  Department of Applied Chemistry for Environment and Research Center for Coordination Molecule-based Devices, School of Science and Technology, Kwansei Gakuin University

• YOSHIOKA Daisuke

  Department of Applied Chemistry for Environment and Research Center for Coordination Molecule-based Devices, School of Science and Technology, Kwansei Gakuin University

Abstract

The title compound, 1,4,7-tris(2-mercaptoethyl)-1,4,7-triazacyclononane (H₃tmtacn), was synthesized and the crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the monoclinic space group P2₁/n with a = 9.9553(13)Å, b = 13.7164(19)Å, c = 14.724(2)Å, β = 102.528(2)°, V = 1962.7(5)ų, D_x = 1.355 g/cm³, and Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0538 and 0.1436, respectively, for all 4528 independent reflections. The triazacyclononane moiety is protonated at the two nitrogen atoms with hydrogen-bonded chloride ions and water molecules as H₃tmtacn·2HCl·H₂O.

Journal

• X-ray Structure Analysis Online

  X-ray Structure Analysis Online 31 (0), 59-60, 2015

  The Japan Society for Analytical Chemistry

Keywords

• Materials Chemistry
• Analytical Chemistry

Details

• CRID: 1390001205300434432
• NII Article ID: 130005114642
• DOI: 10.2116/xraystruct.31.59
• ISSN: 18833578
• Web Site: https://www.jstage.jst.go.jp/article/xraystruct/31/0/31_59/_pdf
• Text Lang: en
• Data Source:
  • JaLC
  • Crossref
  • CiNii Articles
• Abstract License Flag: Disallowed