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N-(4-Chloro-phen-yl)-4-nitro-benzamide
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the crystal structure of a chlorinated nitroaromatic compound, revealing its near-planar geometry and intermolecular hydrogen bonding. The findings elucidate the molecular arrangement and interactions within the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- Understanding the three-dimensional arrangement of molecules in crystals is crucial for predicting material properties.
- Nitroaromatic compounds are important in various chemical applications, necessitating detailed structural characterization.
Purpose of the Study:
- To determine the precise crystal structure of the title compound, C(13)H(9)ClN(2)O(3).
- To investigate the molecular planarity, bond angles, and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- Analysis of bond angles, dihedral angles, and hydrogen bonding networks was performed.
Main Results:
- The compound exhibits a near-planar conformation with a small dihedral angle (4.63°) between aromatic ring planes.
- An intramolecular C-H⋯O hydrogen bond was identified.
- Intermolecular N-H⋯O(nitro) hydrogen bonds form zigzag chains along the [010] direction.
Conclusions:
- The crystal structure of C(13)H(9)ClN(2)O(3) is characterized by near planarity and specific hydrogen bonding patterns.
- These structural features dictate the molecule's packing and interactions in the solid state.
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