m-Phenyl-enediamine

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding molecular interactions and crystal packing is crucial for predicting material properties.
• The compound C(6)H(8)N(2) presents an interesting case for studying intermolecular forces due to its amino groups.

Purpose of the Study:

• To elucidate the crystal structure of C(6)H(8)N(2).
• To investigate the nature and extent of hydrogen bonding and other intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular contacts, including hydrogen bonds (N-H⋯O) and N-H⋯π interactions, was performed.

Main Results:

• Four molecules of C(6)H(8)N(2) were found in the asymmetric unit, each exhibiting local C2 symmetry.
• A three-dimensional network was formed through N-H⋯O hydrogen bonding involving most amino groups.
• N-H⋯π contacts were identified with specific distances, while aromatic π-stacking was absent.

Conclusions:

• The crystal structure of C(6)H(8)N(2) is characterized by a robust 3D hydrogen-bonded network.
• The presence of N-H⋯π contacts contributes to the overall crystal packing, influencing material properties.