SYNTHESIS AND CRYSTAL-STRUCTURE OF 2 COPPER(II) HALIDE-COMPLEXES WITH TRANS-1,2-CYCLOHEPTANEDIOL

: LEHTONEN A, SILLANPAA R

Publisher: MUNKSGAARD INT PUBL LTD

: 1992

Acta Chemica Scandinavica

ACTA CHEMICA SCANDINAVICA

: ACTA CHEM SCAND

: 46

: 3

: 249

: 254

: 6

: 0904-213X

DOI: https://doi.org/10.3891/acta.chem.scand.46-0249

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.