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Updated: Jun 1, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
4-[(E)-(5-Bromo-2-hydroxy-phen-yl)methyl-ideneamino]benzene-sulfonamide
Summary
This study details the crystal structure of a novel compound, C(13)H(11)ClN(2)O(3)S. Molecular conformation is influenced by an intramolecular hydrogen bond, with intermolecular interactions stabilizing the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular interactions is crucial in chemistry.
- Crystal structure analysis provides insights into intermolecular forces.
- Conformational analysis aids in predicting chemical properties.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(13)H(11)ClN(2)O(3)S.
- To investigate the role of intramolecular and intermolecular interactions in stabilizing the molecular and crystal structure.
- To characterize the dihedral angle between benzene rings and hydrogen bonding patterns.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles.
- Identification and analysis of hydrogen bonding networks (O-H⋯N, N-H⋯O, C-H⋯O).
Main Results:
- The crystal structure of C(13)H(11)ClN(2)O(3)S was determined.
- A dihedral angle of 12.26(33)° was observed between the benzene rings.
- An intramolecular O-H⋯N hydrogen bond was identified, contributing to the established conformation.
- Intermolecular N-H⋯O and C-H⋯O interactions were found to link molecules in the crystal lattice.
Conclusions:
- The crystal structure reveals specific conformational preferences driven by intramolecular hydrogen bonding.
- Intermolecular interactions play a significant role in the overall crystal packing and stability.
- The findings contribute to the understanding of structure-property relationships in organic compounds.
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