Inclusion Compounds of Thiourea and Paralkylated Ammonium Salts. Part VII. Hydrogen-Bonded Host Lattices Constructed from Thiourea and Anionic Species Derived from Benzoic Acid

Abstract

New inclusion complexes (n-C3H7)4N+C6H5CO2−· 3(NH2)2CS (1), (n-C4H9)4N+[(C6H5CO2)2H]−·6(NH2)2CS (2) and (C2H5)4N+C6H5CO2−·(NH2)2CS (3) have been prepared and characterized by X-ray crystallography. Crystal data, MoKα radiation: 1, space group P212121, Z = 4, a = 8.544(3), b = 14.588(4), c = 24.448(4) A, and R1 = 0.062 for 1536 observed data; 2, space group Pbcn, Z = 4, a = 24.938(3), b = 8.911(1), c = 23.733(9) A, and R1 = 0.055 for 2132 observed data; 3, space group P212121, Z = 4, a = 9.996(2), b = 10.122(4), c = 18.350(2) A, and R1 = 0.049 for 1180 observed data. In the crystal structure of 1, the (n-C3H7)4N+ cations are stacked in a single column and accommodated within each channel built up by wide thiourea ribbons and benzoate ions via N—H···O hydrogen bonds. In the crystal structure of 2, the tetrabutylammonium cations are arranged in a zigzag column within each channel built of parallel corrugated thiourea layers that are inter-linked by dimeric [(C6H5CO2)2H]− groups through N—H·O hydrogen bonds. In compound 3 the (C2H5)4N+ cations are accommodated in ‘pseudo-channels’ generated from infinitely extended thiourea-benzoate composite ribbons.