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International Union of Crystallography, Acta Crystallographica Section E: Crystallographic Communications, 10(71), p. 1151-1154, 2015

DOI: 10.1107/s2056989015015923

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Crystal structure of 4-(methoxycarbonyl)phenylboronic acid

Journal article published in 2015 by Keith J. Flanagan, Mathias O. Senge
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Data provided by SHERPA/RoMEO

Abstract

In the title compound, C8H9BO4, the methoxycarbonyl group is rotated out of the plane of the benzene ring by 7.70 (6)°. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, involving the boronic acid OH groups, forming inversion dimers. The dimers are linkedviaO—H...O hydrogen bonds, involving a boronic acid OH group and the carbonyl O atom, forming undulating sheets parallel to (10-2). Within the sheets there are also C—H...O hydrogen bonds present, also involving the carbonyl O atom. The sheets are linkedviaC—H...π and offset face-to-face π-interactions between inversion-related molecules [inter-centroid distance = 3.7843 (16) Å, interplanar distance = 3.3427 (4) Å and offset = 1.744 Å], forming a three-dimensional structure.