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Crystals  2012 

Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis

DOI: 10.3390/cryst2020521

Keywords: esterification, ethyl 2,6-dimethoxybenzoate, spectroscopic data, crystal structure

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Abstract:

The acid catalyzed esterification of 2,6-dimethoxybenzoic acid ( 1) in the presence of absolute ethanol afforded ethyl 2, 6-dimethoxybenzoate ( 2). The structure of the resulting compound was supported by spectroscopic data and unambiguously confirmed by single crystal X-ray diffraction studies. The title compound crystallized in the triclinic space group P ī with unit cell parameters a = 8.5518(3) ?, b = 10.8826(8) ?, c = 11.9939(6) ?, α = 101.273(5)°, β = 98.287(3)°, γ = 94.092(4)°, V = 1077.54(10) ? 3, Z = 4, Dc = 1.296 Mg/m 3, F(000) = 448 and μ = 0.098 mm ?1. Compound ( 2) crystallizes with two molecules in the asymmetric unit with similar conformations.

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