• Media type: E-Article
  • Title: Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde
  • Contributor: Ebersbach, Ben; Seichter, Wilhelm; Mazik, Monika
  • imprint: International Union of Crystallography (IUCr), 2022
  • Published in: Acta Crystallographica Section E Crystallographic Communications
  • Language: Not determined
  • DOI: 10.1107/s2056989022005643
  • ISSN: 2056-9890
  • Keywords: Condensed Matter Physics ; General Materials Science ; General Chemistry
  • Origination:
  • Footnote:
  • Description: <jats:p>The crystal structures of the title compounds, methyl 3,5-dimethylbenzoate (C<jats:sub>10</jats:sub>H<jats:sub>12</jats:sub>O<jats:sub>2</jats:sub>; <jats:bold>1</jats:bold>), 3,5-bis(bromomethyl)phenyl acetate (C<jats:sub>10</jats:sub>H<jats:sub>10</jats:sub>Br<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>; <jats:bold>2</jats:bold>) and 5-hydroxybenzene-1,3-dicarbaldehyde (C<jats:sub>8</jats:sub>H<jats:sub>6</jats:sub>O<jats:sub>3</jats:sub>; <jats:bold>3</jats:bold>) were determined by single-crystal X-ray analysis. The crystals of <jats:bold>1</jats:bold> are composed of strands of C—H...O=C bonded molecules, which are further arranged into layers. As a result of the presence of two bromomethyl substituents in compound <jats:bold>2</jats:bold>, molecular dimers formed by crystallographically non-equivalent molecules are connected to structurally different two-dimensional aggregates in which the bromine atoms participate in Br...Br bonds of type I and type II. In the case of compound <jats:bold>3</jats:bold>, which possesses three donor/acceptor substituents, the molecular association in the crystal creates a close three-dimensional network comprising C<jats:sub>aryl</jats:sub>—H...O<jats:sub>hydroxy</jats:sub>, C<jats:sub>formyl</jats:sub>—H...O<jats:sub>formyl</jats:sub> and O—H...O<jats:sub>formyl</jats:sub> bonds.</jats:p>
  • Access State: Open Access