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Preparation of N-(2-alkoxyvinyl)sulfonamides from N-tosyl-1,2,3-triazoles and Subsequent Conversion to Substituted Phthalans and Phenethylamines
Published on: January 3, 2018
N,N'-Bis(4-methyl-phenyl-sulfon-yl)-suberamide
Acta Crystallographica. Section E, Structure Reports Online
|November 18, 2011
Summary
This study details the crystal structure of C(22)H(28)N(2)O(6)S(2), revealing molecular conformation and intermolecular hydrogen bonding. The findings elucidate the compound's solid-state arrangement and interactions.
Area of Science:
- Crystallography
- Molecular Chemistry
- Solid-State Chemistry
Background:
- Understanding molecular structure and intermolecular interactions is crucial for predicting material properties.
- The specific compound C(22)H(28)N(2)O(6)S(2) has not been previously characterized in detail regarding its crystal packing.
Purpose of the Study:
- To determine and describe the three-dimensional crystal structure of the title compound.
- To analyze the molecular conformation, including bond orientations and torsion angles.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
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 asymmetric unit contains half a molecule with a center of symmetry.
- Conformations of amide and aliphatic segments were determined to be 'anti'.
- The molecule exhibits a bent conformation at the sulfur atom (torsion angle -76.4°).
- A dihedral angle of 67.2° was observed between the benzene ring and the SO(2)-NH-C(O) segment.
- Intermolecular N-H⋯O(C) hydrogen bonds were identified, forming chains along the b-axis.
Conclusions:
- The crystal structure of C(22)H(28)N(2)O(6)S(2) has been successfully elucidated.
- The observed molecular geometry and hydrogen bonding pattern dictate the compound's packing in the solid state.
- These structural insights provide a foundation for further studies on the compound's physical and chemical properties.
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