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Synthesis and Crystal Structure of a New Hydrated Benzimidazolium Salt Containing Spiro Structure

MicroScale Science Institute, Department of Chemistry, Chemical Engineering and Environmental Engineering, Weifang University, Weifang 261061, China
Author to whom correspondence should be addressed.
Academic Editor: Shujun Zhang
Crystals 2017, 7(10), 303;
Received: 23 August 2017 / Revised: 29 September 2017 / Accepted: 29 September 2017 / Published: 9 October 2017
A new hydrated benzimidazolium salt containing spiro structure was obtained when benzimidazole is added to ethyl alcohol of 1,5-dioxaspiro[5.5]undecane-2,4-dione and trimethoxymethane. The title compound (C19H21O8) (C7H7N2) (0.5H2O) was characterized by elemental analysis, IR, UV-Vis, and single-crystal X-ray diffraction. The result shows that it belongs to the triclinic system, space group P-1, with a = 11.017(2) Å, b = 11.424(2) Å, c = 11.650(2) Å, α = 70.60(3)°, β = 71.00(3)°, γ = 67.64(3)°, Mr = 505.51, V = 1245.2(5) Å, Z = 2, Dc = 1.348 g/cm3, F(000) = 534, μ(MoKa) = 0.102 mm−1. There exist two types of hydrogen bonds in the crystal. (C19H21O8) anions and (C7H7N2)+ cations are linked by N–H···O hydrogen bonds, while (C19H21O8) anions and free water are linked by O–H···O hydrogen bonds. All of the above hydrogen bonds form a one-dimensional (1D)-chained structure. The 1D chains further links the molecule into a three-dimensional (3D)-layered structure. View Full-Text
Keywords: synthesis; crystal structure; benzimidazolium synthesis; crystal structure; benzimidazolium
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Zeng, W.; Jiang, J. Synthesis and Crystal Structure of a New Hydrated Benzimidazolium Salt Containing Spiro Structure. Crystals 2017, 7, 303.

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