2-Chloro-N'-(4-nitro-benzyl-idene)benzo-hydrazide
1College of Chemistry and Chemical Engineering, Hunan Institute of Science and Technology, Yueyang, Hunan 414006, People's Republic of China.
This study details the trans configuration of a Schiff base compound (C14H10ClN3O3). Molecular analysis reveals specific dihedral angles and intermolecular hydrogen bonding in its crystalline structure.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Schiff base compounds are versatile organic molecules with diverse applications.
- Understanding the solid-state structure of Schiff bases is crucial for predicting their properties and reactivity.
- The specific compound C14H10ClN3O3 was selected for detailed structural investigation.
Purpose of the Study:
- To elucidate the precise molecular and crystal structure of the Schiff base compound C14H10ClN3O3.
- To determine the configuration around the C=N bond and the spatial arrangement of the benzene rings.
- To identify and characterize intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided detailed geometric information.
- Intermolecular interactions, specifically hydrogen bonding, were identified and analyzed.
Main Results:
- The Schiff base compound C14H10ClN3O3 was confirmed to exist in a trans configuration concerning the C=N bond.
- A dihedral angle of 15.9(2)° was measured between the two benzene rings, indicating a non-planar conformation.
- The crystal structure revealed the formation of 1D chains linked by intermolecular N-H⋯O hydrogen bonds along the [101] direction.
Conclusions:
- The study provides a comprehensive structural characterization of the Schiff base compound C14H10ClN3O3.
- The identified trans configuration and dihedral angle offer insights into the conformational preferences of this class of compounds.
- The observed intermolecular hydrogen bonding highlights the role of supramolecular interactions in dictating crystal packing and material properties.
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