Morpholine-4-carboxamidinium ethyl carbonate.

Area of Science:

• Crystallography
• Chemical Physics

Background:

• The study investigates the crystal structure of a salt composed of carboxamidinium cations and ethyl carbonate anions.
• Understanding the precise arrangement and bonding of ions in crystalline solids is crucial for predicting material properties.

Purpose of the Study:

• To elucidate the crystal structure of the title salt, C5H12N3O(+)·C3H5O3(-).
• To analyze the bond lengths, geometries, and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, and hydrogen bonding patterns was performed.

Main Results:

• The asymmetric unit contains two carboxamidinium cations and two ethyl carbonate anions.
• Carboxamidinium cations exhibit partial double-bond character in C-N bonds with delocalized positive charges.
• Ethyl carbonate ions display characteristic C-O bond lengths for delocalized double and single bonds.
• N-H⋯O hydrogen bonds link cations and anions, forming a two-dimensional network in the ac plane.

Conclusions:

• The crystal structure reveals detailed information about the electronic distribution and conformation of the ions.
• The observed hydrogen bonding network highlights the significant role of intermolecular forces in stabilizing the crystal structure.