3-氨基-2,3-二脱氧-β-D-阿拉伯己吡喃糖苷甲基酯的晶体结构。通过N-H...O、O-H...N和O-H...O相互作用的双网络实现晶格稳定。

Crystal structure of methyl 3-amino-2,3-dideoxy-beta-D-arabino-hexopyranoside. Stabilization of the crystal lattice by a double network of N-H...O, O-H...N and O-H...O interactions.

作者信息

Dabrowska Aleksandra, Jacewicz Dagmara, Sikorski Artur, Chmurzyński Lech

机构信息

Faculty of Chemistry, University of Gdańsk, Poland.

出版信息

Carbohydr Res. 2005 Sep 26;340(13):2201-5. doi: 10.1016/j.carres.2005.06.031.

DOI:10.1016/j.carres.2005.06.031

PMID:16043159

Abstract

The structure, conformation and configuration of methyl 3-amino-2,3-dideoxy-beta-D-arabino-hexopyranoside were investigated by (1)H NMR, (13)C NMR and IR spectroscopy, as well as by optical rotation. The crystal structure was confirmed by single-crystal X-ray crystallographic analysis at 293 K and R = 0.0434 based on 910 independent reflections. The crystal belongs to the monoclinic system, space group of P2(1) with cell dimensions a = 6.050(1) Angstroms, b = 7.284(1) Angstroms, c = 10.289(2) Angstroms, beta = 104.69(3) degrees, D(c) = 1.341 Mg cm(-3) and V = 438.9(1) Angstroms(3) for Z = 2. Furthermore, the molecule has a typical (4)C(1) chair conformation. Hydrogen bonds between sugar molecules are responsible for stabilizing the crystal lattice.

摘要

通过¹H NMR、¹³C NMR和红外光谱以及旋光法研究了3-氨基-2,3-二脱氧-β-D-阿拉伯己吡喃糖苷甲基酯的结构、构象和构型。通过在293 K下的单晶X射线晶体学分析确定了晶体结构，基于910个独立反射，R = 0.0434。该晶体属于单斜晶系，空间群为P2(1)，晶胞参数a = 6.050(1)埃，b = 7.284(1)埃，c = 10.289(2)埃，β = 104.69(3)°，D(c) = 1.341 Mg cm⁻³，V = 438.9(1)埃³，Z = 2。此外，该分子具有典型的(4)C(1)椅式构象。糖分子之间的氢键负责稳定晶格。