N-(4-Methyl-2-pyrid-yl)-p-toluidine

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• The formation of supramolecular structures through intermolecular interactions, such as hydrogen bonding, influences crystal packing and material characteristics.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(13)H(14)N(2).
• To analyze the geometric parameters, including dihedral and bond angles, within the molecule.
• To investigate the intermolecular interactions present in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure included the measurement of dihedral and bond angles.
• Identification and analysis of intermolecular interactions, specifically hydrogen bonding, were performed.

Main Results:

• The dihedral angle between the aromatic rings in the C(13)H(14)N(2) molecule was determined to be 48.1(1)°.
• The bridging C-N-C bond angle was measured at 127.24(12)°.
• Intermolecular N-H⋯N hydrogen bonding was observed, leading to the formation of hydrogen-bonded dimers centered about an inversion center.

Conclusions:

• The crystal structure of C(13)H(14)N(2) is characterized by a significant dihedral angle between its aromatic rings.
• The molecule adopts a specific conformation influenced by the bridging C-N-C bond angle.
• The observed intermolecular hydrogen bonding dictates the self-assembly into dimeric units in the solid state, highlighting the role of supramolecular chemistry in crystal engineering.