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4-Chloro-N-(3-methoxy-phen-yl)-benz-amide
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a benzamide derivative, C(14)H(12)ClNO(2). It reveals molecular arrangements and hydrogen bonding patterns contributing to a 3D network, with insights into its crystalline nature.
Area of Science:
- Crystallography
- Chemical structure analysis
- Organic chemistry
Background:
- Benzamide derivatives are important in medicinal chemistry and materials science.
- Understanding the solid-state structure is crucial for predicting chemical properties and reactivity.
- Detailed crystallographic studies provide fundamental insights into molecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the benzamide derivative C(14)H(12)ClNO(2).
- To analyze the molecular geometry and intermolecular interactions within the crystal lattice.
- To characterize the hydrogen bonding network and its role in forming the 3D structure.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
- Identification and analysis of hydrogen bonds (N-H⋯O, C-H⋯O) and other non-covalent interactions were performed.
Main Results:
- The asymmetric unit contains two independent, nearly planar benzamide molecules.
- Dihedral angles between benzene rings are approximately 11.9° and 12.8°.
- A 3D network is formed via N-H⋯O and C-H⋯O hydrogen bonds, creating chains, layers, and undulating rows.
- The crystal was identified as an inversion twin with a specific domain ratio.
Conclusions:
- The crystal structure of C(14)H(12)ClNO(2) is characterized by specific molecular conformations and extensive hydrogen bonding.
- Intermolecular interactions dictate the formation of a complex three-dimensional supramolecular architecture.
- The crystallographic data provides a foundation for further studies on the physical and chemical properties of this benzamide derivative.
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