N-(2,6-Diisopropyl-phen-yl)formamide.

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Formamides are versatile organic compounds with diverse applications.
• Understanding molecular geometry is crucial for predicting chemical and physical properties.
• Previous studies have characterized various formamide structures, but extreme non-planarity remains underexplored.

Purpose of the Study:

• To synthesize and characterize a novel formamide derivative.
• To investigate the three-dimensional molecular structure and conformation.
• To determine the extent of non-planarity and its implications for crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the precise molecular structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided conformational details.
• Hydrogen bonding interactions were identified and analyzed.

Main Results:

• The title compound, C(13)H(19)NO, was synthesized and structurally characterized.
• A significant dihedral angle of 77.4° was observed between the 2,6-diisopropyl-phenyl ring and the formamide group.
• This represents the largest dihedral angle documented for structurally characterized formamides.
• Infinite chains were formed through N-H⋯O hydrogen bonds along the b-axis.

Conclusions:

• The synthesized formamide exhibits an exceptionally non-planar structure.
• The observed large dihedral angle influences intermolecular interactions and crystal assembly.
• This finding expands the known structural diversity of formamide derivatives.