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Summary

This study details the crystal structure of a C(16)H(16)N(2)O(3) compound, revealing a non-planar benzohydrazide group and trans configuration. Molecular packing is stabilized by hydrogen bonds, forming chains along the b axis.

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Area of Science:

Organic Chemistry
Crystallography
Molecular Structure

Background:

Benzohydrazide derivatives are important in medicinal chemistry and materials science.
Understanding molecular conformation and crystal packing is crucial for predicting compound properties.

Purpose of the Study:

To elucidate the three-dimensional molecular structure and crystal packing of the title compound C(16)H(16)N(2)O(3).
To analyze the hydrogen bonding interactions and their role in stabilizing the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
Identification and analysis of intra- and intermolecular hydrogen bonds were performed.

Main Results:

The benzohydrazide moiety was found to be non-planar, adopting a trans configuration around the methylidene unit.
A significant dihedral angle of 26.9(2)° was observed between the two substituted benzene rings.
Intramolecular O-H⋯N and intermolecular N-H⋯O hydrogen bonds were identified, stabilizing the molecular packing.
Intermolecular hydrogen bonding resulted in the formation of chains parallel to the b crystallographic axis.

Conclusions:

The study provides a detailed structural characterization of the title compound.
The identified hydrogen bonding network plays a critical role in the observed crystal packing and molecular assembly.
These findings contribute to the understanding of structure-property relationships in benzohydrazide derivatives.