Hydrogen bonding and C—H...O interactions in 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde
R. E. Gerkin
Abstract
R. E. Gerkin
Abstract
The title dialdehyde, C16H14O6, crystallized in the centrosymmetric space group P1 with one molecule in the asymmetric unit. In this structure, one intermolecular and two intramolecular hydrogen bonds occur; the OD...OA distances are 3.030(2), 2.626(2) and 2.662(2) A. In addition, ten significant C-H...O interactions have C...O distances ranging from 3.342(2) to 3.741(3) A and C-H...O angles ranging from 117 to 167 degrees. The 11 intermolecular interactions link a molecule directly to eight neighbors and form a richly three-dimensional network. The dihedral angle between the best-fit planes of the benzene rings within a molecule (biphenyl twist angle) is 79.00(8) degrees. The dihedral angles between the carboxaldehyde-group planes and the best-fit planes of the rings to which they are attached are 4.7(10) and 2.6(10) degrees.
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The title dialdehyde, C16H14O6, crystallized in the centrosymmetric space group P1 with one molecule in the asymmetric unit. In this structure, one intermolecular and two intramolecular hydrogen bonds occur; the OD...OA distances are 3.030(2), 2.626(2) and 2.662(2) A. In addition, ten significant C-H...O interactions have C...O distances ranging from 3.342(2) to 3.741(3) A and C-H...O angles ranging from 117 to 167 degrees. The 11 intermolecular interactions link a molecule directly to eight neighbors and form a richly three-dimensional network. The dihedral angle between the best-fit planes of the benzene rings within a molecule (biphenyl twist angle) is 79.00(8) degrees. The dihedral angles between the carboxaldehyde-group planes and the best-fit planes of the rings to which they are attached are 4.7(10) and 2.6(10) degrees.
Key concepts: Dihedral angle, Intramolecular force, Intermolecular force, Hydrogen bond, Crystallography, Molecule, Chemistry, Benzene