Structure investigation on a novel 2-halo-2,3-unsaturated-N-galactoside, NMR and X-ray diffraction of a monoclinic multidomain crystal

Single crystal X-ray and NMR investigations on multidomain structured N-(4,6-di-O-acetyl-2,3-dideoxy-α-D-threo-hex-2-en-2-iodo-pyranosyl)-methylsulfonamide are reported. This is the first crystallographic diffraction data report related to a 2-halo-2,3-unsaturated galactoside derivative. A complete structural study, including conformations and crystal packing, was performed by analyzing the spectroscopic data in solid state (XRD) and in solution (NMR). [Display omitted] •Single crystal of 2,3-unsaturated-N-glycoside suitable for X-ray analysis was obtained.•Complete NMR and DRX investigation were performed.•Conformational features are described in solution and solid state.