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Related Experiment Video

Updated: Jun 1, 2026

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
11:01

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase

Published on: November 23, 2016

4-Carbamoylpiperidinium acetate monohydrate.

Graham Smith1, Urs D Wermuth

  • 1Faculty of Science and Technology, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.

Acta Crystallographica. Section E, Structure Reports Online
|May 19, 2011
PubMed
Summary

This study reveals the intricate three-dimensional crystal structure of a piperidinium acetate hydrate compound. It details complex hydrogen-bonding networks involving cations, water molecules, and acetate anions, forming an extended framework.

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Area of Science:

  • Crystallography
  • Supramolecular Chemistry
  • Chemical Physics

Background:

  • Understanding the hydrogen bonding in organic salts is crucial for predicting their solid-state properties.
  • Piperidinium derivatives are common in various chemical applications.
  • Water molecules often play a significant role in mediating intermolecular interactions in crystalline hydrates.

Purpose of the Study:

  • To elucidate the detailed crystal structure of a specific piperidinium acetate hydrate.
  • To characterize the hydrogen bonding network within the crystal lattice.
  • To understand the role of water molecules and acetate anions in stabilizing the overall framework.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
  • Analysis of hydrogen bonding interactions, including graph set notation, was performed.
  • Intermolecular interactions were visualized and analyzed to understand the framework assembly.

Main Results:

  • The crystal structure of C(6)H(13)N(2)O(+)·C(2)H(3)O(2) (-)·H(2)O was successfully determined.
  • Centrosymmetric cyclic hydrogen-bonding associations involving amide hydrogen atoms and two water molecules were observed ([graph set R(4)(2)(8)]).
  • Conjoint cyclic water-bridged amide-amide associations ([R(4)(4)(12)]) and larger associations ([R(4)(4)(20)]) involving water and acetate anions were identified, forming a 3D framework.

Conclusions:

  • The piperidinium acetate hydrate forms a stable three-dimensional framework structure driven by extensive hydrogen bonding.
  • Water molecules act as crucial linkers between the piperidinium cations and acetate anions.
  • The detailed structural analysis provides insights into the supramolecular assembly of organic salt hydrates.