title: X-ray and conformational analysis of methyl 3-amino-2,3-dideoxy-alpha-D-arabino-hexopyranoside.
abstract: The structure, conformation and configuration of methyl 3-amino-2,3-dideoxy-alpha-d-arabino-hexopyranoside were confirmed by (1)H NMR, (13)C NMR and IR spectroscopy, as well as by optical rotation. The structure of the compound studied was also determined by single crystal X-ray crystallography at 293 K and refined to a final R=0.0521 based on 1798 independent reflections. The title compound crystallized in the tetragonal space group P4(3) with a=6.572(1) angstrom, b=6.572(1) angstrom, c=41.161(8) angstrom, D(c)=1.324 Mgcm(-3) and V=1777.8(5) angstrom(3) for Z=8. The packing arrangement in the unit cell displayed a stratified structure. Moreover, medium-strength N-H. . .O and O-H. . .O hydrogen bonds, which stabilized the 3-D structure of compound I, were observed.
authors.affiliation: Department of General Chemistry, University of Gdańsk, Sobieskiego 18/19, 80-952 Gdańsk, Poland.
authors.forename: Aleksandra
authors.initials: A
authors.lastname: Dabrowska
authors.forename: Artur
authors.initials: A
authors.lastname: Sikorski
authors.forename: Dagmara
authors.initials: D
authors.lastname: Jacewicz
authors.forename: Lech
authors.initials: L
authors.lastname: Chmurzyński
mesh_terms: D002236:Carbohydrate Conformation; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D007259:Infrared Rays; D009682:Magnetic Resonance Spectroscopy; D008759:Methylglycosides / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D013053:Spectrophotometry; D013696:Temperature; D014965:X-Rays
chemical_list: D008759:Methylglycosides; C493354:methyl 3-amino-2,3-dideoxyhexopyranoside