A1 Refereed original research article in a scientific journal
SYNTHESIS AND CRYSTAL-STRUCTURE OF 2 COPPER(II) HALIDE-COMPLEXES WITH TRANS-1,2-CYCLOHEPTANEDIOL
Authors: LEHTONEN A, SILLANPAA R
Publisher: MUNKSGAARD INT PUBL LTD
Publication year: 1992
Journal:: Acta Chemica Scandinavica
Journal name in source: ACTA CHEMICA SCANDINAVICA
Journal acronym: ACTA CHEM SCAND
Volume: 46
Issue: 3
First page : 249
Last page: 254
Number of pages: 6
ISSN: 0904-213X
DOI: https://doi.org/10.3891/acta.chem.scand.46-0249
Abstract
The crystal and molecular structures of CuCl2.2t-chpd (1) and CuBr2.2t-chpd (2) (t-chpd = trans-1,2-cycloheptanediol) have been determined from X-ray single-crystal data, and refined to R-values of 0.038 for 2202 reflections and 0.035 for 2024 reflections for 1 and 2, respectively. Both compounds crystallize in the monoclinic space group P2(1)/n with two dimeric [CuX2(t-chpd)]2.2t-chpd units (X = Cl or Br) in a cell. Cell parameters are a = 1531.8(8), b = 778.1(2), c = 1568.2(8) pm and beta = 105.93(4)-degrees for 1 and a = 1521.5(2), b = 808.8(3), c = 1588.5(2) pm and beta = 106.07(1)-degrees for 2. The structures are isomorphous. The copper(II) ions have a square-pyramidal coordination sphere. CuX2(t-chpd) units are linked to dimers through halogen bridges and hydrogen bonds. Dimeric [CuX2(t-chpd)]2 units are polymerised along the b-axis through hydrogen bonding of the diols. The OH hydrogens of the coordinated diol molecule form hydrogen bonds with the oxygen atoms of the uncoordinated diol unit, while the OH hydrogens of the uncoordinated diols form hydrogen bonds with the halide ions.
The crystal and molecular structures of CuCl2.2t-chpd (1) and CuBr2.2t-chpd (2) (t-chpd = trans-1,2-cycloheptanediol) have been determined from X-ray single-crystal data, and refined to R-values of 0.038 for 2202 reflections and 0.035 for 2024 reflections for 1 and 2, respectively. Both compounds crystallize in the monoclinic space group P2(1)/n with two dimeric [CuX2(t-chpd)]2.2t-chpd units (X = Cl or Br) in a cell. Cell parameters are a = 1531.8(8), b = 778.1(2), c = 1568.2(8) pm and beta = 105.93(4)-degrees for 1 and a = 1521.5(2), b = 808.8(3), c = 1588.5(2) pm and beta = 106.07(1)-degrees for 2. The structures are isomorphous. The copper(II) ions have a square-pyramidal coordination sphere. CuX2(t-chpd) units are linked to dimers through halogen bridges and hydrogen bonds. Dimeric [CuX2(t-chpd)]2 units are polymerised along the b-axis through hydrogen bonding of the diols. The OH hydrogens of the coordinated diol molecule form hydrogen bonds with the oxygen atoms of the uncoordinated diol unit, while the OH hydrogens of the uncoordinated diols form hydrogen bonds with the halide ions.
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