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

Crystals

Imtiaz Khan¹  Aliya Ibrar¹ 

[1] Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad, Pakistan;

关键词: esterification;    ethyl 2;    6-dimethoxybenzoate;    spectroscopic data;    crystal structure;   

DOI  :  10.3390/cryst2020521

来源: mdpi

【 摘 要 】

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) Å, b = 10.8826(8) Å, c = 11.9939(6) Å, α = 101.273(5)°, β = 98.287(3)°, γ = 94.092(4)°, V = 1077.54(10) ų, Z = 4, Dc = 1.296 Mg/m³, F(000) = 448 and μ = 0.098 mm⁻¹. Compound (2) crystallizes with two molecules in the asymmetric unit with similar conformations.

【 授权许可】

CC BY   
© 2012 by the authors; licensee MDPI, Basel, Switzerland.