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新型 2-卤代-2,3-不饱和-N-半乳糖苷的结构研究，多域单晶的 NMR 和 X 射线衍射。

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

机构信息

Centro de Estudio de Compuestos Orgánicos, CEDECOR (CIC, UNLP), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, 47 y 115, 1900, La Plata, Argentina.

Instituto de Física La Plata, IFLP (CONICET, UNLP), Departamento de Física, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900, La Plata, Argentina.

出版信息

Carbohydr Res. 2021 Dec;510:108457. doi: 10.1016/j.carres.2021.108457. Epub 2021 Oct 7.

DOI:10.1016/j.carres.2021.108457
PMID:34638084
Abstract

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).

摘要

本文报道了多域结构的 N-(4,6-二-O-乙酰基-2,3-二去氧-α-D-赤式-己-2-烯-2-碘代吡喃糖基)-甲磺酰胺的单晶 X 射线和 NMR 研究。这是首个与 2-卤代-2,3-不饱和半乳糖苷衍生物有关的晶体衍射数据报告。通过分析固态（XRD）和溶液（NMR）中的光谱数据，对其进行了完整的结构研究，包括构象和晶体堆积。

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