U. Lepore, G. Lepore, P. Ganis
Dec 15, 1975
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Influential Citations
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Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
Benzylmalonic acid (C10H1004) crystallizes in the space group Pbca with a = 20-780 + 0.029, b = 12.184 + 0.014, c=7.332+0.009 A, Z=8. Data for 1001 non-zero independent reflexions 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 molecules are held together in rows parallel to 21 axes by hydrogen bonds (O . .0=2 .73 A); these rows are linked by different hydrogen bonds ( O . . . 0=2 .67 A) near symmetry centres. A two-dimensional network of hydrogen bonds is formed parallel to the plane (100).