CRYSTAL STRUCTURES OF 4-(OXIRAN-2-YLMETHOXY)BENZOIC ACID AND 4-ACETOXYBENZOIC ACID
A. Obreza1, F. Perdih2
1 Faculty of Pharmacy, University of Ljubljana
2 Faculty of Chemistry and Chemical Technology, University of Ljubljana CO EN-FIST, Ljubljana
franc.perdih@fkkt.uni-lj.si
Keywords: crystal structure, epoxide, hydrogen bond, carboxylic acid
Pages: 802-808
Abstract
Compounds 4-(oxiran-2-ylmethoxy)benzoic acid (2) and 4-acetoxybenzoic acid (4) are synthesized by a new synthetic route and studied by X-ray crystallography. Compound 2 crystallizes in the monoclinic system, P21/n space group, a = 5.1209(2) Å, b = 30.3429(16) Å, c = 5.9153(3) Å, β = 96.725(3)°, V = 912.81(8) Å3, Z = 4. Compound 4 crystallizes in the triclinic system, P-1 space group, a = 7.3400(4) Å, b = 8.0819(3) Å, c = 15.6548(9) Å, α = 85.754(3)°, β = 84.268(2)°, γ = 70.023(3)°, V = 867.63(8) Å3, Z = 4. The crystal structure of 2 comprises two crystallographically independent molecules of the compound. In the crystal structures of 2 and 4, pairs of molecules form carboxyl dimers.
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