2-(Eth-oxy-carbon-yl)pyridinium nitrate

Area of Science:

• Crystallography
• Solid-state chemistry
• Molecular structure analysis

Background:

• Understanding the three-dimensional arrangement of atoms in crystalline solids is fundamental to materials science.
• Hydrogen bonding plays a critical role in stabilizing crystal structures and influencing material properties.
• The nitrate anion is a common counterion involved in various chemical compounds.

Purpose of the Study:

• To determine and describe the crystal structure of the title compound, C(8)H(10)NO(2)+·NO(3)-.
• To investigate the specific molecular geometry and conformation of the cation within the crystal lattice.
• To identify and analyze the intermolecular interactions, particularly hydrogen bonds, that stabilize the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using established crystallographic software.
• Analysis of bond lengths, bond angles, and torsion angles was performed to describe the molecular geometry.
• Intermolecular interactions, including hydrogen bonds, were identified using geometric criteria.

Main Results:

• The crystal structure of the title compound, C(8)H(10)NO(2)+·NO(3)-, was successfully determined.
• The organic cation exhibits a nearly planar conformation, with specific torsion angles (C-O-C-C: -178.1(2)°, C-O-C-O: 2.1(4)°) characterizing its geometry.
• The crystal lattice is stabilized by a network of N-H⋯O and C-H⋯O hydrogen bonds between the cation and the nitrate anion.

Conclusions:

• The structural analysis confirms the planar nature of the cation in the solid state.
• Hydrogen bonding interactions are the primary forces responsible for stabilizing the crystal structure of this nitrate salt.
• The findings provide insights into the structure-property relationships of organic nitrate compounds.