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N-(3-Chloro-phen-yl)benzene-sulfonamide
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
The crystal structure of C(12)H(10)ClNO(2)S reveals specific molecular arrangements, including trans N-H bonds and intermolecular hydrogen bonds forming chains. This detailed structural analysis aids in understanding sulfonamide compound properties.
Area of Science:
- Crystallography
- Chemical Physics
- Organic Chemistry
Background:
- Sulfonamides are a crucial class of organic compounds with diverse applications.
- Understanding the precise crystal structure of novel sulfonamide derivatives is essential for predicting their physical and chemical properties.
- Previous studies have characterized related compounds, providing a basis for comparison.
Purpose of the Study:
- To elucidate the detailed three-dimensional crystal structure of the title compound, C(12)H(10)ClNO(2)S.
- To analyze the molecular geometry, including bond orientations and dihedral angles between aromatic rings.
- To investigate intermolecular interactions, such as hydrogen bonding, that influence the solid-state packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- The crystal structure was solved and refined using standard crystallographic software.
- Geometric parameters, including bond lengths, bond angles, and dihedral angles, were analyzed.
Main Results:
- The crystal structure of C(12)H(10)ClNO(2)S was successfully determined.
- A key finding is the trans orientation of the N-H bond relative to one of the S=O bonds.
- The dihedral angle between the two aromatic rings was measured at 65.4(1)°, differing from related compounds.
- Intermolecular N-H⋯O hydrogen bonds were observed, leading to the formation of chains along the b axis.
Conclusions:
- The study provides a precise structural characterization of C(12)H(10)ClNO(2)S at the molecular level.
- The observed dihedral angle and hydrogen bonding patterns offer insights into the structure-property relationships of this sulfonamide derivative.
- The findings contribute to the broader understanding of sulfonamide crystal engineering and molecular design.
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