Crystal and molecular structure of hippuric acid
- 1 January 1972
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 8,p. 1036-1040
- https://doi.org/10.1039/p29720001036
Abstract
Hippuric acid (N-benzoylglycine) crystallizes in the orthorhombic space group P212121 with a= 10·586(1), b= 9·123(5), c= 8·880(2)Å, Z= 4. The structure was determined from diffractometer data by direct methods, and refined by electron-density and full-matrix least-squares techniques to R 0·034 for 750 observed reflexions. The structure consists of molecules of hippuric acid linked by a three-dimensional network of intermolecular O–H O (2·68 Å) and N–H O (3·02 Å) hydrogen bonds. The molecule is characterized by three planes defined by the phenyl, amide, and carboxylic acid groups, which are twisted with respect to each other.Keywords
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