Structure and stability of carboxylate complexes. Part IV. The crystal and molecular structure of sodium phenoxyacetate hemihydrate

Abstract

The crystal and molecular structure of sodium phenoxyacetate hemihydrate (monoclinic, a= 6·22, b= 34·7, c= 7·88 Å, γ= 102·0°, space group A2/a) has been determined by three-dimensional X-ray techniques from photographic data by direct methods. The final refinement assumed anisotropic thermal vibration and the residual R was 0·096 for 1018 observed reflections. The crystals consist of sodium ions surrounded by distorted octahedra of oxygen atoms, five from four phenoxyacetate ions, and the sixth from a water molecule.