Crystal Structure of 2, 8, 14, 20-tert-Butylpyrogallol[4]arene |
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| Authors: | Eric E. Dueno Allen D. Hunter Matthias Zeller Thomas A. Ray Ralph N. Salvatore Cesar H. Zambrano |
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| Affiliation: | (1) Department of Chemistry, Eastern Kentucky University, 521 Lancaster Ave., Richmond, KY 40475, USA;(2) Department of Chemistry, Youngstown University, 1 University Plaza, Youngstown, OH 44555-3663, USA;(3) Lehman College, City University of New York, Davis Hall 317, 250 Bedford Park Boulevard, West Bronx, New York 10468, USA;(4) Departamento de Quimica, Universidad San Francisco de Quito, Pampite & Robles - Cumbayá, Quito, Ecuador |
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| Abstract: | Abstract The aromatic derivative 2, 8, 14, 20-tert-butylpyrogallol[4]arene was synthesized by the acid catalyzed condensation of pivalaldehyde and pyrogallol in refluxing aqueous ethanol. Single crystal X-ray analysis revealed that the molecule crystallizes in the monoclinic crystal system; space group: P21/c. Unit cell dimensions: a = 11.1175(7) ?, α = 90°, b = 23.4525(15) ?, β = 101.6720(10)°, c = 21.9595(14) ?, γ = 90°, Dcalc = 1.205 Mg/m3 g/m3 for Z = 4. In the solid state, the macrocycle is found to adopt a crown structure that is unique for the rcct conformation. Graphical abstract Crystal Structure of 2, 8, 14, 20- tert -Butylpyrogallol[4]arene Eric E. Dueno, Allen D. Hunter, Matthias Zeller, Thomas A. Ray, Ralph N. Salvatore, Cesar H. Zambrano Acid catalyzed condensation of pyrogallol and pivalaldehyde in refluxing aqueous ethanol afforded a pyrogallol[4]arene derivative in good yield. Single crystal X-ray diffraction analysis revealed that a new calyx-like structure was formed under the reaction conditions.  Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. |
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| Keywords: | Pyrogallol[4]arene Crown conformation Crystal structure, tert-butyl |
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