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Related Experiment Videos

DL-arginine monohydrate at 100 K.

R Kingsford-Adaboh1, M Grosche, B Dittrich

  • 1Department of Chemistry, University of Ghana, Accra, Ghana.

Acta Crystallographica. Section C, Crystal Structure Communications
|October 12, 2000
PubMed
Summary

This study details the crystal structure of a hydrated compound, revealing a unique molecular conformation and extensive hydrogen bonding. These interactions form spiral motifs crucial for stabilizing the crystal lattice.

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Area of Science:

  • Crystallography
  • Structural Chemistry
  • Molecular Biology

Background:

  • Understanding the three-dimensional arrangement of molecules in crystalline solids is fundamental to materials science and drug design.
  • Guanidinium-containing compounds play vital roles in biological systems and as chemical building blocks.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C(6)H(14)N(4)O(2).H(2)O.
  • To analyze the molecular conformation and hydrogen bonding network within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular geometry.
  • Identification and characterization of intermolecular interactions, including hydrogen bonds.

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Main Results:

  • The alpha-amino group of the compound was found to be neutral.
  • The molecular side chain, including the guanidinium group, exhibited a near gauche-gauche conformation (chi(3) = 59.0(1)°, chi(4) = 72.8(1)°).
  • A complex hydrogen bonding network was identified, involving carboxylate and guanidinium groups, as well as water molecules, stabilizing the crystal lattice through spiral motifs.

Conclusions:

  • The crystal structure reveals specific conformational preferences and intermolecular interactions for this hydrated guanidinium compound.
  • The identified hydrogen bonding patterns are key to the stability and organization of the crystal lattice.
  • This detailed structural information contributes to the understanding of molecular interactions in crystalline organic compounds.