Solid-state structure of N-o-, N-m-, and N-p-nitrophenyl-2,3,4-tri-O-acetyl-β-d-xylopyranosylamines
Tomasz Gubica , Dorota K. Stępień , Andrzej Temeriusz , Katarzyna Paradowska , Ewa Głowacka , Michał K. Cyrański , Andrzej Ostrowski
AbstractComprehensive structural analyses were performed for N-o-, N-m-, and N-p-nitrophenyl-2,3,4-tri-O-acetyl-β-d-xylopyranosylamines. Single-crystal X-ray diffraction data were collected and revealed that one compound under investigation undergoes temperature-dependent polymorph transitions (crystal structures of three polymorphs were obtained). The number of molecules in the independent part of the crystal unit cells was in agreement with the number of resonances in solid-state 13C NMR spectra. Therefore, the compounds exist as single polymorphs at room temperature, as confirmed by powder X-ray diffraction measurements. Significant differences in 13C chemical shifts between solution and solid-state NMR for selected carbon atoms confirmed the existence of intra- and/or intermolecular interactions.
|Journal series||Carbohydrate Research, ISSN 0008-6215, (A 25 pkt)|
|Keywords in English||Crystal structure, DFT calculations, Solid-state NMR, X-ray diffraction, Xylosylamines|
|Publication indicators||: 2011 = 2.332 (2) - 2011=2.386 (5)|
|Citation count*||1 (2015-05-07)|
* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or Perish system.