...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and hydrogen bonding in N-(1-de-oxy-β-d-fructo-pyranos-1-yl)-2-amino-isobutyric acid
【24h】

Crystal structure and hydrogen bonding in N-(1-de-oxy-β-d-fructo-pyranos-1-yl)-2-amino-isobutyric acid

机译：N-（1-脱氧-β-d-果糖-吡喃基-1-基）-2-氨基异丁酸的晶体结构和氢键

获取原文
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The title compound, alternatively called d-fructose-2-amino-isobutyric acid (FruAib), C10H19NO7, (I), crystallizes exclusively in the β-pyran-ose form, with two conformationally non-equivalent mol-ecules [(IA) and (IB)] in the asymmetric unit. In solution, FruAib establishes an equilibrium, with 75.6% of the population consisting of β-pyran-ose, 10.4% β-furan-ose, 10.1% α-furan-ose, 3.0% α-pyran-ose and <0.7% the acyclic forms. The carbohydrate ring in (I) has the normal 2C5 chair conformation and the amino acid portion is in the zwitterion form. Bond lengths and valence angles compare well with the average values from related pyran-ose structures. All carboxyl, hy-droxy and ammonium groups are involved in hydrogen bonding and form a three-dimensional network of infinite chains that are connected through homodromic rings and short chains. Intra-molecular hydrogen bonds bridge the amino acid and sugar portions in both mol-ecules. A comparative Hirshfeld surfaces analysis of FruAib and four other sugar–amino acids suggests an increasing role of intra-molecular heteroatom inter-actions in crystal structures with an increasing proportion of C—H bonds.
机译：标题化合物（也称为d-果糖-2-氨基异丁酸（FruAib），C10H19NO7，（I））仅以β-吡喃糖形式结晶，带有两个构象上不等价的分子-[[IA]和（IB）]。在溶液中，FruAib建立了一个平衡状态，其中75.6％的人口由β-吡喃糖，10.4％β-呋喃糖，10.1％α-呋喃糖，3.0％α-吡喃糖和<0.7％非循环形式。 （I）中的碳水化合物环具有正常的2C5椅构象，并且氨基酸部分为两性离子形式。键长和化合价与相关吡喃糖结构的平均值相当。所有的羧基，羟基和铵基团都参与氢键结合，并形成无限链的三维网络，这些网络通过同调环和短链相连。分子内的氢键桥接两个分子中的氨基酸和糖部分。对FruAib和其他四种糖氨基酸的Hirshfeld表面比较分析表明，随着CH键比例的增加，分子内杂原子相互作用在晶体结构中的作用越来越大。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号