title: Solid-state structure of N-o-, N-m-, and N-p-nitrophenyl-2,3,4-tri-O-acetyl-β-D-xylopyranosylamines.
abstract: Comprehensive 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 (13)C NMR spectra. Therefore, the compounds exist as single polymorphs at room temperature, as confirmed by powder X-ray diffraction measurements. Significant differences in (13)C chemical shifts between solution and solid-state NMR for selected carbon atoms confirmed the existence of intra- and/or intermolecular interactions.
authors.affiliation: Department of Physical Chemistry, Faculty of Pharmacy, Medical University of Warsaw, Banacha 1, 02-097 Warsaw, Poland. tomasz.gubica@wum.edu.pl
authors.forename: Tomasz
authors.initials: T
authors.lastname: Gubica
authors.forename: Dorota K
authors.initials: DK
authors.lastname: Stępień
authors.forename: Andrzej
authors.initials: A
authors.lastname: Temeriusz
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Paradowska
authors.forename: Ewa
authors.initials: E
authors.lastname: Głowacka
authors.forename: Michał K
authors.initials: MK
authors.lastname: Cyrański
authors.forename: Andrzej
authors.initials: A
authors.lastname: Ostrowski
mesh_terms: D000606:Amino Sugars / Q000737:chemistry*; D000814:Aniline Compounds / Q000737:chemistry*; D002236:Carbohydrate Conformation; D003080:Cold Temperature; D003460:Crystallization; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D033362:Powder Diffraction; D014961:X-Ray Diffraction
chemical_list: D000606:Amino Sugars; D000814:Aniline Compounds; C570006:N-m-nitrophenyl-2,3,4-tri-O-acetylxylopyranosylamine; C570005:N-o-nitrophenyl-2,3,4-tri-O-acetylxylopyranosylamine; C570007:N-p-nitrophenyl-2,3,4-tri-O-acetylxylopyranosylamine