(E)-N'-(3,4-Dimeth-oxy-benzyl-idene)-4-meth-oxy-benzohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Intermolecular forces, such as hydrogen bonding, play a significant role in the self-assembly and macroscopic properties of crystalline materials.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(17)H(18)N(2)O(4).
• To analyze the molecular conformation, including bond orientations and planarity of aromatic rings.
• To investigate the intermolecular interactions, specifically hydrogen bonding, that stabilize the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the precise atomic coordinates and unit cell parameters.
• Analysis of bond lengths, bond angles, and torsion angles provided insights into the molecular geometry.
• Intermolecular interactions were identified and characterized using hydrogen bond analysis and geometric criteria.

Main Results:

• The title compound, C(17)H(18)N(2)O(4), was characterized by its crystal structure.
• The azomethine double bond was found to adopt an E conformation, with a specific N-N-C-C torsion angle of -178.3°.
• Benzene rings exhibited near-coplanarity (dihedral angle of 2.98°), and molecules were linked by N-H⋯O hydrogen bonds forming chains parallel to the b axis.
• Weak C-H⋯O interactions further stabilized the structure, forming chains of six-membered rings.

Conclusions:

• The crystal structure of C(17)H(18)N(2)O(4) reveals a defined molecular conformation and specific stereochemistry.
• N-H⋯O hydrogen bonding is the primary driving force for molecular assembly into one-dimensional chains.
• The interplay of hydrogen bonding and weaker C-H⋯O interactions dictates the overall packing and stability of the crystal structure.