The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid

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—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 interaction [intercentroid distance = 3.6405 (14) Å], forming layers lying parallel to the (10\overline{1}) plane. The layers are linked by a third C—H...O hydrogen bond and a C—H...π interaction to form a supramolecular framework.

Keywords

• crystal structure
• isocoumarin
• hydrogen bonding
• c—h...π interactions
• offset π–π interactions
• supramolecular framework
• hirshfeld surface analysis
• energy frameworks