Scientific article
English

Crystal structure solution of an elusive polymorph of Dibenzylsquaramide

Published inPowder diffraction, vol. 28, no. S2, p. S470-S480
Publication date2013
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
  • Dibenzylsquaramide
  • Crystal structure
  • X-ray powder diffraction
Research groups
Citation (ISO format)
PORTELL, Anna et al. Crystal structure solution of an elusive polymorph of Dibenzylsquaramide. In: Powder diffraction, 2013, vol. 28, n° S2, p. S470–S480. doi: 10.1017/S0885715613000821
Main files (1)
Article (Published version)
accessLevelRestricted
Identifiers
Journal ISSN0885-7156
767views
0downloads

Technical informations

Creation31/03/2014 14:18:00
First validation31/03/2014 14:18:00
Update time14/03/2023 21:03:52
Status update14/03/2023 21:03:51
Last indexation30/10/2024 16:39:13
All rights reserved by Archive ouverte UNIGE and the University of GenevaunigeBlack