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Crystal structure solution of an elusive polymorph of Dibenzylsquaramide

Portell, Anna
Alcobé, Xavier
Prohens, Rafel
Published in Powder Diffraction. 2013, vol. 28, no. S2, p. S470-S480
Abstract The crystal structure of the third polymorph of dibenzylsquaramide (Portell, A. et al., 2009), (fig. 1) has been determined from laboratory X-ray powder diffraction data by means of direct space methods using the computing program FOX. (Favre-Nicolin and Černý, 2002) The structure resolution has not been straightforward due to several difficulties on the indexing process and in the space group assignment. The asymmetric unit contains two different conformers, which has implied an additional difficulty during the Rietveld (Rietveld, 1969) refinement. All these issues together with particular structural features of disquaramides are discussed.
Keywords DibenzylsquaramideCrystal structureX-ray powder diffraction
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PORTELL, Anna et al. Crystal structure solution of an elusive polymorph of Dibenzylsquaramide. In: Powder Diffraction, 2013, vol. 28, n° S2, p. S470-S480. https://archive-ouverte.unige.ch/unige:35159

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Deposited on : 2014-03-31

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