(3Z,5E)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbo-nitrile

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding molecular interactions and crystal packing is crucial in materials science.
• Hydrogen bonding plays a significant role in the self-assembly of organic molecules.
• Pyridine-containing compounds exhibit diverse applications due to their electronic and structural properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C20H14N6.
• To investigate the intermolecular interactions governing the solid-state arrangement.
• To characterize the dihedral angle between pyridine rings and hydrogen bonding networks.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and torsion angles provided structural insights.
• Intermolecular interactions, specifically hydrogen bonds, were identified and analyzed.

Main Results:

• The crystal structure of C20H14N6 was successfully determined.
• A dihedral angle of 37.98(7)° was measured between the pyridine rings.
• N-H⋯N hydrogen bonds were observed, linking molecules into (10) sheets.

Conclusions:

• The study provides detailed crystallographic data for C20H14N6.
• The observed hydrogen bonding pattern dictates the formation of 2D supramolecular sheets.
• The structural insights contribute to the understanding of crystal engineering with pyridine-based molecules.