4-[(E)-(5-Chloro-2-hydroxy-benzyl-idene)amino]benzene-sulfonamide
Summary
This study details the molecular structure of a novel sulfonamide compound, C(13)H(11)ClN(2)O(3)S. It highlights specific intramolecular and intermolecular hydrogen bonds influencing its crystal structure and molecular conformation.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Sulfonamide derivatives are a significant class of compounds with diverse applications in medicine and materials science.
Purpose of the Study:
- To elucidate the detailed molecular structure and crystal packing of the title compound, C(13)H(11)ClN(2)O(3)S.
- To investigate the role of intramolecular and intermolecular interactions in stabilizing the observed molecular conformation and crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of bond lengths, bond angles, dihedral angles, and hydrogen bonding networks was performed.
Main Results:
- The crystal structure revealed a dihedral angle of 12.27° between the aromatic rings.
- An intramolecular O-H⋯N hydrogen bond formed a planar six-membered ring, nearly coplanar with an adjacent ring (dihedral angle 2.36°).
- Intermolecular N-H⋯O hydrogen bonds were identified, linking molecules into a cohesive crystal structure.
Conclusions:
- The study provides a precise description of the molecular geometry and intermolecular interactions of C(13)H(11)ClN(2)O(3)S.
- The identified hydrogen bonding patterns are key factors governing the solid-state structure and may influence the compound's physical and chemical behavior.
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