(E)-N'-(5-Bromo-2-hydroxy-benzyl-idene)-3,4,5-trimethoxy-benzohydrazide

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Benzohydrazide derivatives are known for their diverse biological activities and structural versatility.
• Halogenated aromatic compounds often exhibit unique electronic and steric properties.

Purpose of the Study:

• To elucidate the precise molecular structure and stereochemistry of the title compound, C(17)H(17)BrN(2)O(5).
• To investigate the intermolecular interactions, specifically hydrogen bonding, that stabilize the crystal lattice.
• To provide a detailed crystallographic analysis of this specific brominated benzohydrazide derivative.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• The crystallographic data were analyzed to establish bond lengths, bond angles, and dihedral angles.
• Intra- and intermolecular interactions, including hydrogen bonds, were identified and characterized.

Main Results:

• The molecule C(17)H(17)BrN(2)O(5) was confirmed to possess an E configuration around the C=N double bond.
• The 5-bromo-2-hydroxy-phenyl and benzohydrazide moieties are positioned on opposite sides of the C=N bond.
• A dihedral angle of 32.48° was measured between the two benzene ring planes.
• Intra-molecular O-H⋯N and inter-molecular N-H⋯O hydrogen bonds were identified as key stabilizing forces in the crystal structure.

Conclusions:

• The crystal structure analysis provides definitive insights into the spatial arrangement and bonding of C(17)H(17)BrN(2)O(5).
• The observed hydrogen bonding network plays a significant role in the compound's solid-state architecture.
• This structural data serves as a foundation for further studies on the compound's chemical and physical properties.