Crystal structures of four inclusion compounds of 4,4’-dihydroxy diphenyl sulfide and tetraalkylammonium

Abstract

Four novel inclusion compounds of (C₂H₅)₄N⁺·C₁₂H₉O₂S^-·2H₂O (1), (n-C₃H₇)₄N⁺·C₁₂H₉O₂S^- (2), (n-C₃H₇)₄N⁺·C₁₂H₉O₂S^-·C₁₂H₁₀O₂S (3) and (n-C₄H₉)₄N⁺·C₁₂H₈O₂S^2-·CH₅N₃ (4) were prepared by 4, 4’-dihydroxy diphenyl sulfide and various tetraalkylammonium guest templates. Crystal structures of four inclusion compounds are characterized by single crystal X-ray diffraction, Among them, 1 and three belong to orthorhombic crystal system with different space groups of P2₁2₁2₁ and Pca2₁, while 2 and four are monoclinic system with P2₁/c and C2/c. In addition, 2 and three are polymorphs. The crystallography data are shown as following: compound 1: a = 6.9675(8) Å, b = 15.4889(16) Å, c = 20.074(2) Å, V = 2166.36(4) ų, Z = 4; compound 2: a = 8.8441(3) Å, b = 17.8886(4) Å, c = 15.8642(3) Å, V = 2422.18(11) ų, Z = 4; compound 3: a = 16.6500(3) Å, b = 11.5233(2) Å, c = 18.1212(3) Å, V = 3476.79(10) ų, Z = 4; compound 4: a = 9.7001(16) Å, b = 21.007(3) Å, c = 25.138(4) Å, V = 5122.03(14) ų, Z = 8. It is worth noting that the host molecules of 4, 4’-dihydroxydiphenyl sulfide in the four conclusion compounds, with or without assistant small molecules as the proton donors, generate varied host lattices, and the similar guest templates of tetraalkylammonium cations are filled in the cavities of the host lattices to produce peanut-shape network structure, wave-like layer structure, adduct crystal structure and sandwich-like layer structure respectively. Obviously, the presences of auxiliary molecules have great influences on the formation of the final crystal structures.

KEYWORDS:

• assistant small molecule
• crystal structure
• hostlattice
• hydrogen bond
• inclusion compound

Acknowledgments

We thank for the help from Northwest Normal University.