Title of article :
The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid
Author/Authors :
Tiouabi, Mustapha Institute of Chemistry - University of Neuchâtel, Switzerland , Tabacchi, Raphaël Institute of Chemistry - University of Neuchâtel, Switzerland , Stoeckli-Evans, Helen Institute of Physics - University of Neuchâtel, Switzerland
Abstract :
In the title compound, C14H18O8, (I), the methoxycarbonyl [–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, molecules are linked by a pair of
O—HO hydrogen bonds forming the familiar acetic acid inversion dimer. The
dimers are linked by two C—HO hydrogen bonds and an offset –
interaction [intercentroid distance = 3.6405 (14) A˚ ], forming layers lying parallel
to the (101) plane. The layers are linked by a third C—HO hydrogen bond
and a C—H interaction to form a supramolecular framework.
Keywords :
supramolecular framework , Hirshfeld surface analysis , energy frameworks , crystal structure , isocoumarin , hydrogen bonding , C—H⋯π interactions , offset π–π interactions
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
