Abstract
Crystalline complexes of pyridine betaine (PBET) with pentachlorophenol (PCP) have been synthesized and characterized by X-ray diffraction and FTIR spectroscopy: PBET·(PCP) 2 (space group P1̄ with a = 8.748(4), b = 11.855(6), c = 13.221(6) A ̊ , α = 66.70(5), β = 74.06(4), γ = 77.97(4)°), PBET·PCP·H 2O (space group P2 1 c with a = 8.616(2), b = 27.610(6), c = 7.0760(10), a = 90, β = 104.82(3), γ = 90°), PBET·PCP·HOMe and PBET·PCP. In PBET·(PCP) 2 the betaine carboxylate group is linked to two phenol molecules by hydrogen bonds of 2.582(6) and 2.611(6) Å. In PBET·PCP·H 2O a centrosymmetric molecular complex is formed by two formula units, where two carboxylate groups are bridged by two water molecules to form an eight membered ring with four OH·;O hydrogen bonds of 2.703(4) and 2.715(5) Å, respectively; each water molecule, in turn, forms a hydrogen bond of 2.580(4) Å to PCP. The IR spectrum of PBET·PCP·HOMe is consonant with a structure in which the betaine carboxylate group accepts both PCP and HOMe.
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