Abstract
Crystals of anionic π-complex Cs[CuCl2(HOCH2C≡CCH2OH)] ⋅ H2O were synthesized by reaction of 2-butyne-1,4-diol with CuCl in a saturated aqueous solution of CsCl at 90°C and studied by X-ray diffraction analysis. The crystals are triclinic (space group $$P\bar 1$$ ; a = 10.155(4) A, b = 7.828(4) A, c = 7.115(3) A, α = 102.62(4)°, β = 100.77(3)°, γ = 106.71(4)°, V = 509(1) A3, Z = 2) and consist of stacks of individual anions [CuCl2(HOCH2C≡CCH2OH)]− and hydrated [Cs ⋅ H2O]+ cations between the stacks. The Cu(I) atom has trigonal surrounding of two Cl atoms and the C≡C bond of 2-butyne-1,4-diol molecule. The Cu-(C≡C) distance in the π-core is 1.905(8) A; the C≡C bond is elongated to 1.223(11) A. In addition to hydrogen bonds O-H⋯Cl, crystals of the complex also contain O(w)⋯H-O and O(w)⋯Cl bonds stabilizing their structure.
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