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The Simultaneous Presence of Different Varieties of Intermolecular Hydrogen Bonds in a New Layer-Type Anionic Host Lattice Built of Thiourea,Fumaric Acid and Fumarate Anion
Authors:Qi Li  Bin Li  Yuan Yang  Chi-Keung Lam  Thomas C W Mak
Institution:(1) College of Chemistry, Beijing Normal University, Beijing, 100875, China;(2) Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong SAR, P. R. China
Abstract:A new inclusion complex (n-C4H9)4N+C4H3O 4 ?  · C4H4O4 · (NH2)2CS has been prepared and characterized by X-ray crystallography. Crystal data: space group P \( \overline 1 \), a = 8.799(2) Å, b = 9.590(1) Å, c = 18.684(4) Å, α = 89.63(1)°, β = 79.56(1)°, γ = 79.74(1)°, V = 1525.2(5) Å3, Z = 2, R 1 = 0.0562 and wR = 0.1033. In the title compound, thiourea molecules, fumaric acid and fumarate anions are joined together by typical O–H···O, N–H···O and N–H···S, plus weak C–H···O and C–H···S, hydrogen bonds to generate a hydrogen-bonded layer corresponding to the (100) family of planes. The tetra-n-butylammonium cations are orderly arranged in a sandwich-like packing mode between the stacked layers. The simultaneous presence of different varieties of intermolecular hydrogen bonds is an interesting feature of the title compound.
Keywords:Fumaric acid  Thiourea  Hydrogen bonds  Inclusion compound  Crystal structure
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