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Open Access Crystal structure of 4-(methoxycarbonyl)phenylboronic acid

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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 linked via pairs of O—H...O hydrogen bonds, involving the boronic acid OH groups, forming inversion dimers. The dimers are linked via O—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 linked via C—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.
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Document Type: Research Article

Affiliations: School of Chemistry, SFI Tetrapyrrole Laboratory, Trinity Biomedical Sciences Institute, 152-160 Pearse Street, Trinity College Dublin, The University of Dublin, Dublin 2, Ireland

Publication date: January 1, 2015

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