Construction of Three-Dimensional Hydrogen-Bonding Network in the Inclusion Compound with Double Betaine as Guest

Abstract

Abstract: A novel inclusion compound [^-OOCCH₂N⁺(CH₃)₂]₂(CH₂)₃·4(NH₂)₂CS has been prepared with thiourea and double betaine, and the crystal structure was characterized by single crystal X-ray diffraction. Crystal structural analysis shows that the complex is triclinic, with space group P1¯, a=0.884 5(2) nm, b=0.936 7(2) nm, c=0.946 4(3) nm, α=91.591(2)°, β=91.591(2)°, γ=91.591(2)°, Z=1, R₁=0.039 9, wR₂=0.100 6(I>2σ(I)). In the crystal structure of the title compound, thiourea molecules are connected side by side through N-H…S hydrogen bonds to form a tetramer. The hydrogen bond layer is formed by carboxyl groups of the guest molecules and the thiourea tetramer through N-H…O hydrogen bonds. And the guest dications are sandwiched between adjacent hydrogen bonding layers to form a sandwich crystal structure.

Key words: double betaine, thiourea, hydrogen bond, inclusion compound, crystal structure, three-dimensional hydrogen-bonding network

CLC Number:

O723

YANG Yuan, SHEN Jing, QIN Haoli. Construction of Three-Dimensional Hydrogen-Bonding Network in the Inclusion Compound with Double Betaine as Guest[J]. JOURNAL OF SYNTHETIC CRYSTALS, 2021, 50(3): 530-535.

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