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Article Dans Une Revue Acta Crystallographica Section B : Structural Science [1968-2013] Année : 2005

Structure determination of the 1/1 [alpha]/[beta] mixed lactose by X-ray powder diffraction

Résumé

The mixed form of [alpha]/[beta] lactose was obtained by heating amorphous [alpha]-lactose at 443 K. NMR spectroscopy determined the stoichiometry of this mixed compound to be 1/1. The X-ray powder diffraction pattern was recorded at room temperature with a sensitive curved detector (CPS 120). The structure was solved by real-space methods (simulated annealing) followed by Rietveld refinements with soft constraints on bond lengths and bond angles. The H atoms of the hydroxyl groups were localized by minimization of the crystalline energy. The cell of 1/1 [alpha]/[beta] lactose is triclinic with the space group P1 and contains two molecules (one molecule of each anomer). The crystalline cohesion is achieved by networks of O-H...O hydrogen bonds. The width of the Bragg peaks is interpreted through a microstructural approach in terms of isotropic strain effects and anisotropic size effects.

Dates et versions

hal-00090395 , version 1 (30-08-2006)

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Citer

J. Lefebvre, Jean-François Willart, V. Caron, Ronan Lefort, Frederic Affouard, et al.. Structure determination of the 1/1 [alpha]/[beta] mixed lactose by X-ray powder diffraction. Acta Crystallographica Section B : Structural Science [1968-2013], 2005, 61(4), pp.455-463. ⟨10.1107/S0108768105017064⟩. ⟨hal-00090395⟩
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