4-Carbamoylpyridinium perchlorate

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding the molecular arrangement in crystalline solids is crucial for predicting material properties.
• Organic cations with amide functionalities are common in various chemical and pharmaceutical applications.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(6)H(7)N(2)O(+)·ClO(4) (-).
• To investigate the conformational preferences of the amide group within the crystal lattice.
• To identify and characterize the intermolecular interactions responsible for crystal stabilization.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
• Crystallographic data analysis was performed to obtain bond lengths, angles, and dihedral angles.
• Intermolecular interactions, specifically hydrogen bonding, were analyzed.

Main Results:

• The crystal structure of C(6)H(7)N(2)O(+)·ClO(4) (-) was successfully determined.
• The amide group was found to be oriented at a dihedral angle of 10.41° (±17°) relative to the benzene ring.
• The crystal structure is stabilized by intermolecular N-H⋯O hydrogen bonding.

Conclusions:

• The study provides precise structural data for the title compound.
• The observed conformation highlights the interplay between electronic and steric factors in the solid state.
• Intermolecular hydrogen bonding is confirmed as a significant stabilizing force in this crystal structure.