N,N'-(1,4-Phenyl-ene)bis-(2-bromo-2-methyl-propanamide)

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular structure is crucial for predicting compound properties.
• Crystal engineering aims to design materials with specific functions.
• Intermolecular interactions dictate crystal packing and network formation.

Purpose of the Study:

• To elucidate the detailed molecular and crystal structure of the title compound, C(14)H(18)Br(2)N(2)O(2).
• To investigate the nature and role of intermolecular interactions in stabilizing the crystal lattice.
• To analyze the conformational aspects of the molecule, including torsion angles.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• Analysis of bond lengths, bond angles, and torsion angles provided conformational insights.
• Intermolecular interactions, such as hydrogen bonds and van der Waals forces, were identified and analyzed.

Main Results:

• The asymmetric unit contains one half-molecule, with a crystallographic inversion center located in the benzene ring.
• A significant C-C-N-C torsion angle of 149.2(7)° was observed between the benzene ring and the bromo-amide group.
• The crystal structure is characterized by a robust three-dimensional network formed by strong intermolecular N-H⋯O hydrogen bonds and weaker C-H⋯O interactions.

Conclusions:

• The determined crystal structure provides a fundamental understanding of the compound's solid-state arrangement.
• The identified intermolecular interactions are key to the formation of the observed 3D network.
• This structural information can guide future research in related organic compounds and crystal engineering.