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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
2-Amino-4-methyl-benzene-sulfonamide
Summary
This study details the crystal structure of C(7)H(10)N(2)O(2)S, revealing molecular linkages via hydrogen bonds. The structure is further stabilized by an intramolecular hydrogen bond, influencing its overall conformation.
Area of Science:
- Crystallography
- Molecular Structure Analysis
- Supramolecular Chemistry
Background:
- Understanding molecular interactions is crucial for predicting material properties.
- Hydrogen bonding plays a significant role in stabilizing crystal structures.
- The specific compound C(7)H(10)N(2)O(2)S has not been extensively studied in terms of its solid-state structure.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(7)H(10)N(2)O(2)S.
- To identify and analyze the hydrogen bonding network within the crystal lattice.
- To determine the spatial arrangement of the molecule, including the dihedral angle between key planes.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of intermolecular and intramolecular hydrogen bonds using crystallographic data.
- Geometric analysis to measure dihedral angles between molecular planes.
Main Results:
- The crystal structure of C(7)H(10)N(2)O(2)S was successfully determined.
- Two strong intermolecular N-H⋯O hydrogen bonds link adjacent molecules.
- An intramolecular N-H⋯O hydrogen bond was identified, contributing to molecular stability.
- A dihedral angle of 69.7(2)° was measured between the C/S/N plane and the aromatic ring plane.
Conclusions:
- The crystal packing of C(7)H(10)N(2)O(2)S is dominated by a network of N-H⋯O hydrogen bonds.
- Intramolecular hydrogen bonding plays a key role in the conformational rigidity of the molecule.
- The observed dihedral angle provides insight into the molecule's three-dimensional architecture and potential for further interactions.
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