X-ray investigation of compounds crystallized in aqueous solution of tetrabutylammonium laurate.: The structure of (C4H9)4N(C11H23COO)•3C11H23COOH•4H2O

The crystal structure of two compounds, 1 and 2, crystallizing from tetrabutylammonium laurate solutions was studied by single crystal XRD method (T = 150 K). The structure of compound 1 is tetragonal, space group P4(2)/m. The water lattice belongs to a known type of polyhedral water structures, tetragonal structure I (TS-I). The composition of 1 was determined as (2 + 3x)[(C4H9)(4)N(OH)](center dot)(2 - 2X)[(C4H9)(4)N(C11H23COO)]center dot 167H(2)O (,x=0-1). The stoichiometry of compound 2 is (C4H9)(4)N(C11H23COO)center dot 3C(11)H(23)COOH center dot 4H(2)O; the structure is triclinic, space group P (1) over bar, with unit cell dimensions a=7.924(2) angstrom, b=9.665(3) angstrom, c = 47.21(2) angstrom, alpha = 89.88(2)degrees, beta = 87.50(2)degrees, gamma = 83.96(2)degrees, Z = 2. the crystal structure of 2 can be described as packing of tetrabutylammonium cations and hydrogen bonded ribbons comprising laurate anions and the molecules of lauric acid and water. Both compounds are the products of hydrolysis of tetrabutylammonium laurate in aqueous solution.