Abstract
The first mononuclear π-complex of copper(I) chloride with monosubstituted alkyne of the formula [(C9H16NH2(OH)C≡CH)CuCl2] was obtained in the system CuCl-HCl-H2O-(C9H16NH2(OH)C≡CH)Cl (C9H16NH2+(OH)C≡CH is the 4-ethynyl-4-hydroxy-2,2,6,6-tetramethylpiperidinium cation) and studied by single-crystal X-ray and X-ray powder diffraction. The crystals are monoclinic: a = 16.868(8) A, b = 13.177(8) A, c = 13.32(1) A, γ = 103.50(4)°, space group P21/b, Z = 8. The structure of the complex contains two crystallographically independent zwitterionic entities of the formula [(C9H16NH2(OH)C≡CH)CuCl2], which result from π-coordination of the potential π-bidentate bond C≡C of the organic cation to one Cu(I) atom of the inorganic anion CuCl2−. The distances Cu-m (m is the midpoint of the C≡C bond) are 1.91(2) A. Along with weak intermolecular hydrogen bonds ≡CH...Cl and intramolecular contacts OH...Cl, the structure is stabilized by a directed ionic interaction through strong NH...Cl bonds.
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