Crystal structure of 3-acetyl-4-hydroxybenzoic acid, C₁₈H₁₆O₈

Abstract

<jats:title>Abstract</jats:title><jats:p>C<jats:sub>18</jats:sub>H<jats:sub>16</jats:sub>O<jats:sub>8</jats:sub>, monoclinic, <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>/<jats:italic>c</jats:italic> (no. 14), <jats:italic>a</jats:italic> = 5.3210(8) Å, <jats:italic>b</jats:italic> = 5.1825(8) Å, <jats:italic>c</jats:italic> = 29.598(5) Å, <jats:italic>β</jats:italic> = 93.875(2)°, <jats:italic>V</jats:italic> = 814.3(2) Å<jats:sup>3</jats:sup>, <jats:italic>Z</jats:italic> = 2, <jats:italic>R</jats:italic><jats:sub>gt</jats:sub>(<jats:italic>F</jats:italic>) = 0.0340, <jats:italic>wR</jats:italic><jats:sub>ref</jats:sub>(<jats:italic>F</jats:italic><jats:sup>2</jats:sup>) = 0.1011, <jats:italic>T</jats:italic> = 296(2) K.</jats:p>

Crystal structure of 3-cinnamoyl-4-hydroxybenzoic acid, C16H12O4

“…In order to synthesize novel preservatives, we have designed and synthesised a series of flavonoids carboxylate glycosides via the chalcone route. We have already reported the synthesis and crystal structures of two intermediates of the aforemention synthetic path [19,20]. Herein we report the synthesis and single crystals of the title compound as an other important intermediate.…”