2-乙基-3-羟基-6-甲基吡啶氢n -乙酰- l-谷氨酸的两种多晶型粉末衍射数据。

IF 0.8 4区 化学
Vladimir V Chernyshev, Sergey Y Efimov, Ksenia A Paseshnichenko, Andrey A Shiryaev
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引用次数: 2

摘要

标题盐C8H12NO(+)·C7H10NO5(-)以单斜晶型(M)和正交晶型(O)两种多晶型修饰方式结晶,通过实验室粉末衍射数据确定了两种多晶型修饰的晶体结构。这两种晶型的晶体填充基序不同,但阴离子的构象一般相似。在M中,阴离子通过N-H··O和O- h··O型的对氢键沿b轴方向连接成链,链内相邻分子通过21螺旋轴连接。阳离子通过O- h··O和N-H··O氢键连接这些链,形成平行于(001)的层。在O中,阴离子通过O- h···O氢键沿[001]连接成螺旋状,螺旋内邻近分子通过21螺旋轴连接。相邻的螺旋转由N-H···O氢键连接。阳离子通过O- h··O和N-H··O氢键连接螺旋,从而形成三维网络。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen N-acetyl-L-glutamate from powder diffraction data.

The title salt, C8H12NO(+)·C7H10NO5(-), crystallizes in two polymorphic modifications, viz. monoclinic (M) and orthorhombic (O). The crystal structures of both polymorphic modifications have been established from laboratory powder diffraction data. The crystal packing motifs in the two polymorphs are different, but the conformations of the anions are generally similar. In M, the anions are linked by pairs of hydrogen bonds of the N-H···O and O-H···O types into chains along the b-axis direction, and neighbouring molecules within the chain are related by the 21 screw axis. The cations link these chains via O-H···O and N-H···O hydrogen bonds into layers parallel to (001). In O, the anions are linked by O-H···O hydrogen bonds into helices along [001], and neighbouring molecules within the helix are related by the 21 screw axis. The neighbouring helical turns are linked by N-H···O hydrogen bonds. The cations link the helices via O-H···O and N-H···O hydrogen bonds, thus forming a three-dimensional network.

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来源期刊
自引率
12.50%
发文量
0
审稿时长
1 months
期刊介绍: Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.
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