结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2005年
2期
151-158
,共8页
salicylic acid%thiourea%hydrogen bond%inclusion compound%host lattice
A new inclusion complex thiourea with tetrabutylammonium salicylate and water,
4(C4H9)4N+C7H5O3-.4(NH2)2CS.2H2O, has been prepared and characterized by X-ray crystallo-
graphy. Crystal data: MoKα radiation, triclinic, space group Pl with a = 13.505(5), b = 13.645(5),
c = 30.720(10) (A), α = 92.872(7),β = 92.329(7), γ = 92.538(7)°, V = 5643.0(3) (A)3, C96H184N12O14S4,
Mr = 1858.79, Z = 2, Dc = 1.094 g/cm3,μ = 0.143 mm-1, F(000) = 2040, R= 0.0694 and wR =
0.1282 for 4303 observed reflections with I ＞ 2σ(I). There are three different layer type host-lattices
in the crystal structure of the title compound. All of them are formed by [(NH2)2CS (C7H5O3-)]4
tetramers, but water molecules are located between tetramers and link them by hydrogen bonds to
generate ribbons at c = 0 and 1/2, and isolated tetramers are arranged side by side at c = 1/4. The
tetrabutylammonium cations are sandwiched between puckered layers.
