Hippuric acid: a neutron diffraction analysis

Abstract

Crystals of hippuric acid (N-benzoylglycine) are orthorhombic, a= 10·586, b= 9·123, c= 8·880 A, Z= 4 in space group P212121. The structure has been refined by full-matrix, least-squares methods to R 0·056 for 727 neutron diffraction data. There is good agreement with two previous X-ray diffraction analyses and the hydrogen atom parameters have been more precisely determined. The two intermolecular hydrogen bonds have O ⋯ O 2·679(10), O–H 1·000(15)A, O–H ⋯ O 167·9(12)° and N ⋯ O 3·018(8), N–H 0·997(13)A, N–H ⋯ O 160·4(11)°.