C5 and C7 intramolecular hydrogen bonds stabilize the structure of N-pyrazinoyl-gabapentin (Pyr-Gpn-OH).

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-10-01 Epub Date: 2013-09-06 DOI:10.1107/S0108270113021781

Naiem Ahmad Wani, Vivek Kumar Gupta, Rajni Kant, Subrayashastry Aravinda, Rajkishor Rai

引用次数: 4

Abstract

2-{1-[(Pyrazin-2-ylformamido)methyl]cyclohexyl}acetic acid (Pyr-Gpn-OH), C14H19N3O3, is an N-protected derivative of gabapentin (Gpn). The compound crystallizes in the triclinic space group P1 and the molecular conformation is stabilized by intramolecular five- (C5) and seven-membered (C7) hydrogen-bonded rings. The packing of the molecules reveals intermolecular O-H···O and C-H···N hydrogen bonds, together with π-π interactions.

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C5和C7分子内氢键稳定n-吡嗪酰加巴喷丁(Pyr-Gpn-OH)的结构。

2-{1-[(吡嗪-2-酰基甲胺)甲基]环己基}乙酸(Pyr-Gpn-OH)， C14H19N3O3是加巴喷丁(Gpn)的n保护衍生物。该化合物在三斜空间群P1中结晶，分子内五元(C5)和七元(C7)氢键环稳定了分子构象。分子的排列揭示了分子间O- h··O和C-H··N氢键以及π-π相互作用。

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 C, Crystal structure communications 化学-晶体学

自引率

12.50%

发文量

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.