Crystal structure of 4-(methoxycarbonyl)phenylboronic acid
Citation:
Flanagan, K. J.; Senge, M. O., Crystal structure of 4-(methoxycarbonyl)phenylboronic acid, Acta Crystallographica, E71, 2015, 1151 1143Download Item:
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 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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http://people.tcd.ie/sengemDescription:
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Author: SENGE, MATHIAS
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Acta Crystallographica;E71;
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CRYSTAL STRUCTUREDOI:
10.1107/s2056989015015923Metadata
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