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Synthesis of Antiviral Tetrahydrocarbazole Derivatives by Photochemical and Acid-catalyzed C-H Functionalization via Intermediate Peroxides (CHIPS)
Published on: June 20, 2014
N-(4-Chloro-phen-yl)-4-meth-oxy-benzamide
Rajni Kant1, Seema Sahi, Vivek K Gupta
1X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
Acta Crystallographica. Section E, Structure Reports Online
|January 4, 2013
Summary
This study details the crystal structure of a novel organic compound, C(14)H(12)ClNO(2). Molecular geometry and hydrogen bonding interactions were analyzed, revealing insights into crystal packing and intermolecular forces.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Intermolecular forces, such as hydrogen bonding, significantly influence crystal packing and solid-state behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(12)ClNO(2).
- To analyze the molecular geometry, including dihedral angles between functional groups and aromatic rings.
- To investigate the role of hydrogen bonding in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Dihedral angles were calculated to describe the relative orientation of the amide group and benzene rings.
- Hydrogen bonding networks were identified and characterized.
Main Results:
- The crystal structure of C(14)H(12)ClNO(2) was determined.
- Significant dihedral angles were observed between the amide plane and the substituted benzene rings (27.55(8)° and 31.94(7)°).
- A larger dihedral angle of 59.24(4)° was found between the two benzene rings.
- N-H⋯O and C-H⋯O hydrogen bonds were identified, forming molecular chains along the a axis.
Conclusions:
- The study provides a detailed structural characterization of C(14)H(12)ClNO(2).
- The observed dihedral angles highlight the non-planar conformation of the molecule.
- Hydrogen bonding plays a key role in organizing the molecules within the crystal structure.
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