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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.

ABSTRACT: 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 ?-? 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?? inter-action to form a supra-molecular framework.

SUBMITTER: Tiouabi M

PROVIDER: S-EPMC7336770 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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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 Mustapha M Tabacchi Raphaël R Stoeckli-Evans Helen H

Acta crystallographica. Section E, Crystallographic communications 20200619 Pt 7

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 ...[more]

PMID: 32695460

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