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Updated: May 22, 2026

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
N-(3-Nitro-benzo-yl)benzene-sulfonamide
This study details the molecular structure of a novel compound, revealing specific bond orientations and significant twists between its aromatic rings. Molecules self-assemble into helical chains through hydrogen bonding.
Area of Science:
- Crystallography
- Molecular Chemistry
- Organic Chemistry
Background:
- Understanding molecular conformation is crucial for predicting chemical properties and interactions.
- Sulfonyl and amide functionalities are common in pharmaceuticals and materials science.
Purpose of the Study:
- To elucidate the three-dimensional structure and intermolecular interactions of the title compound, C(13)H(10)N(2)O(5)S.
- To analyze the conformational preferences and hydrogen bonding patterns within the crystal lattice.
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 provided insights into molecular geometry.
Main Results:
- The study identified specific anti and gauche torsions within the -SO(2)-NH-CO- segment relative to the benzoyl ring and S=O bonds.
- Significant dihedral angles of 79.9° and 86.9° were observed between the sulfonyl benzene ring and the -SO(2)-NH-CO- segment, and between the two benzene rings, respectively.
- Molecules were found to form helical chains along the b-axis through N-H⋯O hydrogen bonds.
Conclusions:
- The determined crystal structure provides a detailed understanding of the molecule's conformation and packing.
- The observed hydrogen bonding network dictates the self-assembly into helical supramolecular structures.
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