2-Carb-oxy-1-phenyl-ethanaminium perchlorate

Area of Science:

• Crystal Engineering
• Supramolecular Chemistry
• Organic Solid-State Chemistry

Background:

• Understanding molecular interactions is crucial for designing materials with specific properties.
• Intramolecular and intermolecular forces dictate crystal packing and network formation.
• Hydrogen bonding plays a significant role in stabilizing molecular architectures.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(9)H(12)NO(2) (+)·ClO(4) (-).
• To investigate the role of intra-molecular and inter-molecular interactions in network formation.
• To characterize the specific types of hydrogen bonds and other interactions present.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional molecular structure.
• Analysis of bond lengths, angles, and non-covalent interactions was performed.
• Identification of hydrogen bonding (N-H⋯O, O-H⋯O, C-H⋯O) and C-H⋯π interactions.

Main Results:

• An intramolecular N-H⋯O interaction was identified, leading to the formation of a six-membered ring with a twisted chair conformation.
• Intermolecular O-H⋯O, N-H⋯O, and C-H⋯O interactions were observed, connecting molecules into a cohesive network.
• A weak C-H⋯π interaction was also detected, contributing to the overall crystal packing.

Conclusions:

• The crystal structure is stabilized by a combination of intramolecular and intermolecular hydrogen bonding.
• The identified interactions dictate the formation of a complex three-dimensional molecular network.
• This study provides insights into the supramolecular assembly of organic salts.