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The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth-oxy-carbon-yl)-3,6-bis-(meth-oxy-meth-oxy)phen-yl]acetic acid.

  • Tiouabi M Institute of Chemistry, University of Neuchâtel, Av. de Bellevax 51, CH-2000 Neuchâtel, Switzerland.
  • Tabacchi R Institute of Chemistry, University of Neuchâtel, Av. de Bellevax 51, CH-2000 Neuchâtel, Switzerland.
  • Stoeckli-Evans H Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.
  • 2020-07-23
Published in:
  • Acta crystallographica. Section E, Crystallographic communications. - 2020
C—H⋯π inter­actions
Hirshfeld surface analysis
crystal structure
energy frameworks
hydrogen bonding
isocoumarin
offset π–π inter­actions
supra­molecular framework
English In the title compound, C14H18O8, (I), the meth-oxy-carbonyl [-C(=O)OCH3] and the acetic acid [-CH2C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, mol-ecules are linked by a pair of O-H⋯O hydrogen bonds forming the familiar acetic acid inversion dimer. The dimers are linked by two C-H⋯O hydrogen bonds and an offset π-π inter-action [inter-centroid distance = 3.6405 (14) Å], forming layers lying parallel to the (10) plane. The layers are linked by a third C-H⋯O hydrogen bond and a C-H⋯π inter-action to form a supra-molecular framework.
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  • English
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gold
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https://sonar.ch/global/documents/186516
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