Accurate hydrogen parameters for the amino acid l-leucine

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• 作者：Jack Binns ; Simon Parsons and Garry J. McIntyre
• 关键词：amino acids ; neutron diffraction ; Laue diffraction ; crystal packing
• 刊名：Acta Crystallographica Section B
• 出版年：2016
• 出版时间：December 2016
• 年：2016
• 卷：72
• 期：6
• 页码：885-892
• 全文大小：760K
• ISSN：2052-5206

文摘

The structure of the primary amino acid l-leucine has been determined for the first time by neutron diffraction. This was made possible by the use of modern neutron Laue diffraction to overcome the previously prohibitive effects of crystal size and quality. The packing of the structure into hydrophobic and hydrophilic layers is explained by the intermolecular interaction energies calculated using the PIXEL method. Variable-temperature data collections confirmed the absence of phase transitions between 120 and 300 K in the single-crystal form.