(E)-N'-(3-Benz-yloxy-4-methoxy-benzyl-idene)isonicotinohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular interactions is crucial in materials science.
• Crystal structure analysis provides insights into chemical bonding and physical properties.
• The compound C(21)H(19)N(3)O(3) presents a unique arrangement of aromatic and heterocyclic rings.

Purpose of the Study:

• To elucidate the precise three-dimensional molecular structure of C(21)H(19)N(3)O(3).
• To investigate the dihedral angles between the pyridine and benzene rings, and between the two benzene rings.
• To identify and characterize the intermolecular interactions, including hydrogen bonds and C-H···π interactions, within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
• Geometric analyses were performed to calculate dihedral angles and bond parameters.
• Intermolecular interactions were identified and analyzed using crystallographic software.

Main Results:

• The pyridine and benzene rings exhibit a dihedral angle of 15.25°.
• The two benzene rings display a dihedral angle of 83.66°.
• The methoxy group shows a slight twist (7.5°).
• The crystal structure is stabilized by intermolecular N-H⋯N and C-H⋯O hydrogen bonds, along with C-H⋯π interactions, forming a 3D network.

Conclusions:

• The study provides a detailed structural characterization of C(21)H(19)N(3)O(3).
• The identified dihedral angles and intermolecular forces dictate the compound's solid-state architecture.
• These findings contribute to the understanding of structure-property relationships in organic crystalline materials.