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N-benzylethylammonium nitrate: a three-dimensional hydrogen-bonded framework comprising substructures in zero, one

Rodrigo Abonia1, Emerson Rengifo, Justo Cobo

  • 1Grupo de Investigación de Compuestos Heterocíclicos, Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.

Acta Crystallographica. Section C, Crystal Structure Communications
|November 8, 2005
PubMed
Summary

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This study details the crystal structure of a salt, revealing how hydrogen bonds form a 3D framework. Different hydrogen bond combinations create zero, one, and two-dimensional structures from cations and anions.

Area of Science:

  • Crystal Engineering
  • Supramolecular Chemistry
  • Materials Science

Background:

  • Hydrogen bonds are crucial in directing the self-assembly of molecules.
  • Understanding supramolecular structures is key to designing new materials.
  • The specific interactions of organic cations with anions influence crystal packing.

Purpose of the Study:

  • To elucidate the crystal structure of the title salt, C(9)H(14)N(+).NO(3)(-).
  • To investigate the role of N-H...O and C-H...O hydrogen bonds in forming extended structures.
  • To characterize the dimensionalities (0D, 1D, 2D, 3D) of the resulting supramolecular assemblies.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.

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  • Hydrogen bond analysis was performed to identify and quantify N-H...O and C-H...O interactions.
  • Topological analysis was used to classify the resulting network structures.

    • Main Results:

    • The title compound, C(9)H(14)N(+).NO(3)(-), forms a three-dimensional framework structure.
    • Specific combinations of hydrogen bonds lead to the formation of discrete 0D aggregates (R(4)(4)(14)), 1D chains (C(2)(2)(6)), and 2D sheets.
    • The 2D sheets are composed of alternating R(4)(4)(14) and R(8)(6)(34) rings.

    Conclusions:

    • Hydrogen bonding interactions play a pivotal role in the self-assembly of the title salt.
    • The interplay between different types of hydrogen bonds dictates the dimensionality of the supramolecular architecture.
    • This study provides insights into the rational design of crystalline materials with specific network topologies.