42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation.

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-08-01 Epub Date: 2012-07-17 DOI:10.1107/S0108768112026456

Naomi E B Briggs, Alan R Kennedy, Catriona A Morrison

引用次数: 13

Abstract

The single-crystal diffraction structures of 38 salt forms of the base tyramine (4-hydroxyphenethylamine) are reported for the first time. Together with literature examples, these structures are discussed with respect to cation conformation, cation packing, hydrogen bonding and hydrate formation. It is found that isostructural cation packing can occur even with structurally different anions, with different hydration states and with different hydrogen bonding. Hydrate formation is found to be more likely both (i) when there is an increase in the total number of potential hydrogen bond acceptor and donor atoms; and (ii) when the ratio of potential hydrogen bond donor to acceptor atoms is low.

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酪胺的42种盐形态:结构比较和水合物形成的发生。

首次报道了碱酪胺(4-羟基苯乙胺)38种盐型的单晶衍射结构。结合文献实例，从阳离子构象、阳离子填充、氢键和水合物形成等方面对这些结构进行了讨论。研究发现，不同结构阴离子、不同水合状态、不同氢键均可发生同构阳离子充填。水合物形成的可能性更大(i)当潜在的氢键受体和供体原子总数增加时;(ii)当潜在氢键给体与受体原子的比例较低时。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.