Crystal structure of R-(+)-1-phenylethylammonium hydrogensquarate monohydrate, C12H13NO4 · H2O

C12H15NO5, monoclinic, P12il (No. 4), a = 7.035(1) Ä, b= 11.024(2) Ä, c = 8.686(2) Ä, β = 111.89(3)°,V = 625.1 Ä 3 , Z= 2, ÄgtfF) = 0.044, R w (F 2 ) = 0.116, Τ = 293 Κ. Source of materialThe title compound was prepared by adding an ethanol/water (1:1) solution of /?-(+)-l-phenylethylamine free base to a water solution of squaric acid in a 1:1 molar ratio with continuous stirring at room temperature.After addition the amine the mixture was stirred at ambient temperature for 30 minutes.The product was purified by repeated crystallization from doubly distilled water.Colourless crystals were grown from an aqueous solution at room temperature.The compound was characterized by elemental analysis and spectroscopic methods.The IR spectrum in the solid state (KBr pellet) confirms that /?-(+)-1phenylethylammonium hydrogensquarate monohydrate exists as a cation and that the amino group is protonated.The melting point of the title compound is over 550 Κ with decomposition.

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