4-Chloro-N-(3-chloro-phen-yl)benzamide
Susanta K Nayak1, M Kishore Reddy, T N Guru Row
1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka, India.
Summary
This study details the crystal structure of a dichloroaniline compound, revealing specific intramolecular contacts and intermolecular hydrogen bonding that form crystal chains. These chains are further linked by chlorine-chlorine interactions, influencing the overall crystal packing arrangement.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- Understanding molecular interactions and crystal packing is crucial for predicting material properties.
- Dichloroaniline derivatives are important in various chemical applications.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of a specific dichloroaniline compound.
- To analyze the hydrogen bonding network and chlorine-chlorine contacts within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond distances, angles, and non-covalent interactions (hydrogen bonds, Cl⋯Cl contacts) was performed.
Main Results:
- The compound exhibits an intramolecular C-H⋯O contact.
- The crystal structure is characterized by infinite N-H⋯O hydrogen bond chains along the c-axis.
- Chains are interconnected by Cl⋯Cl contacts (3.474 Å).
- The crystal used for data collection was twinned.
Conclusions:
- The crystal packing is dominated by N-H⋯O hydrogen bonds and Cl⋯Cl interactions.
- The observed structural features provide insights into the solid-state behavior of dichloroaniline derivatives.
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