Two similar sugars, with chemical formulas differing only by the presence of a methyl group connected to the molecule backbones in different positions, crystallize in the monoclinic P21 space group giving rise to Z’ = 2 structures. They both bear an azide side chain which is the principal responsible for the lack of a higher symmetry for one compound only. We analyzed their most relevant features by means of X-ray single crystal diffraction coupled with a quantitative estimation of their potential tendency to crystallize in a different space group with higher symmetry. The latter tendency of the most promising of the two compounds is commented in the light of the anisotropic behaviour of the atomic displacement parameters.

False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters

LOMBARDO, Giuseppe Marcello;PUNZO, FRANCESCO
2014-01-01

Abstract

Two similar sugars, with chemical formulas differing only by the presence of a methyl group connected to the molecule backbones in different positions, crystallize in the monoclinic P21 space group giving rise to Z’ = 2 structures. They both bear an azide side chain which is the principal responsible for the lack of a higher symmetry for one compound only. We analyzed their most relevant features by means of X-ray single crystal diffraction coupled with a quantitative estimation of their potential tendency to crystallize in a different space group with higher symmetry. The latter tendency of the most promising of the two compounds is commented in the light of the anisotropic behaviour of the atomic displacement parameters.
2014
Polymorphism; Molecular dynamics simulation; Atomic displacement parameters
File in questo prodotto:
File Dimensione Formato  
Punzo_Lombardo_false_symm.pdf

solo gestori archivio

Tipologia: Versione Editoriale (PDF)
Licenza: NON PUBBLICO - Accesso privato/ristretto
Dimensione 1.69 MB
Formato Adobe PDF
1.69 MB Adobe PDF   Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11769/16755
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 7
  • ???jsp.display-item.citation.isi??? 8
social impact