N'-[(E)-Furan-2-yl-methyl-idene]pyridine-3-carbohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular conformation and crystal packing is crucial for predicting material properties.
• The azomethane linkage and heterocyclic rings are common motifs in biologically active molecules and functional materials.

Purpose of the Study:

• To elucidate the detailed three-dimensional crystal structure of the title compound, C(11)H(9)N(3)O(2).
• To analyze the conformational preferences and intermolecular interactions governing the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular interactions (hydrogen bonds, pi-pi stacking).

Main Results:

• The compound exists in the E conformation around the azomethane C=N bond and adopts the keto tautomeric form.
• Two independent molecules in the asymmetric unit exhibit slight variations in the dihedral angles between pyridine and furan rings (14.96(10)° and 5.53(10)°).
• Crystal structure stabilization is achieved through a network of N-H⋯O, N-H⋯N, and weak C-H⋯O/N hydrogen bonds, alongside C-H⋯π and π-π interactions.

Conclusions:

• The study provides a precise structural characterization of the title compound.
• The identified intermolecular interactions offer insights into the self-assembly behavior and potential for crystal engineering.
• The conformational analysis contributes to the understanding of structure-property relationships in related heterocyclic systems.