N-(3,5-Dimethyl-phen-yl)benzene-sulfonamide
Summary
This study details the crystal structure of a novel organic compound, C(14)H(15)NO(2)S. The molecule exhibits a bent conformation at the sulfur atom and forms a supramolecular structure via hydrogen bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides detailed insights into molecular geometry, conformation, and intermolecular interactions.
- The title compound, C(14)H(15)NO(2)S, represents a potentially interesting scaffold for further chemical exploration.
Purpose of the Study:
- To elucidate the precise crystal structure of the title compound, C(14)H(15)NO(2)S.
- To characterize the molecular conformation, including bond angles and torsion angles.
- To identify and describe the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
- Analysis of bond lengths, bond angles, torsion angles, and intermolecular contacts was performed.
Main Results:
- The crystal structure of C(14)H(15)NO(2)S was determined.
- The molecule exhibits a significant molecular bend at the sulfur atom, with a C-SO(2)-NH-C torsion angle of 67.9(2)°.
- The two phenyl rings within the molecule are tilted at an angle of 54.6(1)° relative to each other.
- Intermolecular N-H⋯O hydrogen bonds were identified, leading to the formation of a supramolecular network.
Conclusions:
- The crystal structure reveals a distinct molecular conformation and specific spatial arrangement of the compound.
- The identified hydrogen bonding network plays a key role in the self-assembly of molecules in the solid state.
- These findings provide a structural basis for understanding the physical and chemical properties of this compound.
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