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Methods to Inhibit Bacterial Pyomelanin Production and Determine the Corresponding Increase in Sensitivity to Oxidative Stress
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N-Cyclo-hexyl-3-methyl-benzamidine.

Rui-Qin Liu1, Sheng-Di Bai, Tao Wang

  • 1Institute of Applied Chemistry, Shanxi University, Taiyuan 030006, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|May 2, 2013
PubMed
Summary

This study details the synthesis and structural analysis of an asymmetric amidine compound (C14H20N2). The research reveals its unique molecular arrangement and intermolecular hydrogen bonding in crystal form.

Area of Science:

  • Organic Chemistry
  • Crystallography

Background:

  • Amidine compounds are versatile organic molecules with diverse applications.
  • Understanding the structure-property relationships of amidines is crucial for their development.

Purpose of the Study:

  • To synthesize and characterize a novel asymmetric amidine compound.
  • To elucidate the molecular structure and crystal packing of the synthesized compound.

Main Methods:

  • One-pot synthesis reaction.
  • Single-crystal X-ray diffraction analysis.
  • Analysis of molecular conformation and hydrogen bonding.

Main Results:

  • Successfully synthesized the asymmetric amidine C14H20N2 via a one-pot reaction.

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  • Determined the crystal structure, revealing a chair conformation of the cyclohexyl group and a dihedral angle of 47.87° between the phenyl ring and NCN plane.
  • Identified N-H⋯N hydrogen bonds facilitating the formation of chains along the a-axis in the crystal.
  • Conclusions:

    • The synthesized amidine exhibits asymmetry due to differential N-alkylation.
    • The crystal structure provides insights into the conformational preferences and intermolecular interactions of this class of compounds.