Crystal structure of sodium isosaccharate, NaC6H11O6•H2O

被引：7

作者：

Bontchev, RP ^{[1
]}

Moore, RC ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

CARBOHYDRATE RESEARCH | 2004年 / 339卷 / 04期

关键词：

crystal structure; single crystal; sodium isosaccharate; isosaccharinic acid;

D O I：

10.1016/j.carres.2003.12.019

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Sodium isosaccharate, NaC6H11O6.H2O (Na-ISA), has been synthesized, and its crystal structure solved by single-crystal X-ray diffraction methods. Na-ISA crystallizes in the monoclinic space group P2(1) (#4) with cell parameters a = 9.2267(11)Angstrom, b = 5.0765(6) Angstrom, c = 9.7435(l 1) Angstrom, beta = 103.304(2)degrees, V = 444.13(9) Angstrom(3), Z = 2. The structure was refined by full-matrix least-squares on F-2 yielding final R-values (all data) R1 = 0.0361 and R(w)2 = 0.0935. The structure of Na-ISA consists Of (C6H11O6)(-) anions arranged in layers parallel to the be plane. An extended network of O-H...O hydrogen bonds links the (ISA)(-) anions and the crystal water molecules. Each sodium atom is coordinated by four oxygen atoms belonging to four different (ISA)(-) anions and by one water molecule. The resulting NaO5 polyhedra are linked by sharing common corners in zig-zag chains running parallel to the b-axis. Published by Elsevier Ltd.

引用

页码：801 / 805

页数：5

共 16 条

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