Crystal structure of benzylmalonic acid

Addnl. data considered in abstracting and indexing are available from a source cited in the original document. Benzylmalonic acid (C10H10O4) crystd. in space group Pbca with a 20·780 ± 0·029, b 12·184 ± 0·014, c 7·332 ± 0·009, Å and Z = 8. Data for 1001 nonzero independent reflections were collected on a Picker automated diffractometer. The crystal structure was solved by direct methods; refinement was carried out by full-matrix least-squares procedures including anisotropic thermal parameters. The conformation of the carboxylic groups is very similar to that of malonic acid. The mols. are held together in rows parallel to 21 axes by H bonds (O...O = 2·73 Å); these rows are linked by different H bonds (O...O = 2·67 Å) near symmetry centers. A 2-dimensional network of H bonds is formed parallel to the plane (100). [on SciFinder(R)]