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Bis(hinokitiolato)copper(II): modification (III)

Bis(hinokitiolato)copper(II): modification (III) Bis(hinokitiolato)copper(II), Cu(hino)2, exhibits both antibacterial and antiviral properties, and has been previously shown to exist in two modifications. A third modification has now been confirmed, namely tetrakis(2-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)tricopper(II)-bis(2-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) (1/1), Cu(C10H11O2)23.Cu(C10H11O2)22, where 3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olate is the systematic name for the hinokitiolate anion. This new modification is composed of discrete cis-Cu(hino)22trans-Cu(hino)2 trimers and cis-Cu(hino)22 dimers. The Cu atoms are bridged by 2-O atoms from the hinokitiolate ligands to give distorted square-pyramidal and distorted octahedral CuII coordination environments. Hence, the CuII environments are CuO5/CuO6/CuO5 for the trimer and CuO5/CuO5 for the dimer. Each trimer and dimer has crystallographically imposed inversion symmetry. The trimer has never been observed before, the dimer has been seen only once before, and the combination of the two together in the same lattice is unprecedented. The CuO5 cores exhibit four strong basal Cu-O bonds 1.915 (2)-1.931 (2) A and one weak apical Cu-O bond 2.652 (2)-2.658 (2) A. The CuO6 core exhibits four strong equatorial Cu-O bonds 1.922 (2)-1.929 (2) A and two very weak axial Cu-O bonds 2.911 (3) A. The bite angles for the chelating hinokitiolate ligands range from 83.13 (11) to 83.90 (10)Degrees. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section C: Crystal Structure Communications International Union of Crystallography

Bis(hinokitiolato)copper(II): modification (III)

Bis(hinokitiolato)copper(II): modification (III)


Abstract

Bis(hinokitiolato)copper(II), Cu(hino)2, exhibits both antibacterial and antiviral properties, and has been previously shown to exist in two modifications. A third modification has now been confirmed, namely tetrakis(2-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)tricopper(II)-bis(2-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) (1/1), Cu(C10H11O2)23.Cu(C10H11O2)22, where 3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olate is the systematic name for the hinokitiolate anion. This new modification is composed of discrete cis-Cu(hino)22trans-Cu(hino)2 trimers and cis-Cu(hino)22 dimers. The Cu atoms are bridged by 2-O atoms from the hinokitiolate ligands to give distorted square-pyramidal and distorted octahedral CuII coordination environments. Hence, the CuII environments are CuO5/CuO6/CuO5 for the trimer and CuO5/CuO5 for the dimer. Each trimer and dimer has crystallographically imposed inversion symmetry. The trimer has never been observed before, the dimer has been seen only once before, and the combination of the two together in the same lattice is unprecedented. The CuO5 cores exhibit four strong basal Cu-O bonds 1.915 (2)-1.931 (2) A and one weak apical Cu-O bond 2.652 (2)-2.658 (2) A. The CuO6 core exhibits four strong equatorial Cu-O bonds 1.922 (2)-1.929 (2) A and two very weak axial Cu-O bonds 2.911 (3) A. The bite angles for the chelating hinokitiolate ligands range from 83.13 (11) to 83.90 (10)Degrees.

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References (30)

Publisher
International Union of Crystallography
Copyright
Copyright (c) 2010 International Union of Crystallography
ISSN
0108-2701
eISSN
1600-5759
DOI
10.1107/S0108270110015581
pmid
20522935
Publisher site
See Article on Publisher Site

Abstract

Bis(hinokitiolato)copper(II), Cu(hino)2, exhibits both antibacterial and antiviral properties, and has been previously shown to exist in two modifications. A third modification has now been confirmed, namely tetrakis(2-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)tricopper(II)-bis(2-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) (1/1), Cu(C10H11O2)23.Cu(C10H11O2)22, where 3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olate is the systematic name for the hinokitiolate anion. This new modification is composed of discrete cis-Cu(hino)22trans-Cu(hino)2 trimers and cis-Cu(hino)22 dimers. The Cu atoms are bridged by 2-O atoms from the hinokitiolate ligands to give distorted square-pyramidal and distorted octahedral CuII coordination environments. Hence, the CuII environments are CuO5/CuO6/CuO5 for the trimer and CuO5/CuO5 for the dimer. Each trimer and dimer has crystallographically imposed inversion symmetry. The trimer has never been observed before, the dimer has been seen only once before, and the combination of the two together in the same lattice is unprecedented. The CuO5 cores exhibit four strong basal Cu-O bonds 1.915 (2)-1.931 (2) A and one weak apical Cu-O bond 2.652 (2)-2.658 (2) A. The CuO6 core exhibits four strong equatorial Cu-O bonds 1.922 (2)-1.929 (2) A and two very weak axial Cu-O bonds 2.911 (3) A. The bite angles for the chelating hinokitiolate ligands range from 83.13 (11) to 83.90 (10)Degrees.

Journal

Acta Crystallographica Section C: Crystal Structure CommunicationsInternational Union of Crystallography

Published: May 8, 2010

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