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11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
(E)-4-[(2-Hydroxy-benzyl-idene)amino]benzene-sulfonic acid
1Department of Chemistry, Baoji University of Arts and Science, Baoji, Shaanxi 721007, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the molecular structure of C(13)H(11)NO(4)S, revealing a trans configuration around the imine bond. Molecular disorder and hydrogen bonding influence crystal packing and overall structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular configurations is crucial in organic chemistry.
- Crystal structure analysis provides insights into intermolecular forces and molecular arrangements.
Purpose of the Study:
- To elucidate the detailed three-dimensional structure of the title molecule, C(13)H(11)NO(4)S.
- To investigate the presence and implications of molecular disorder and hydrogen bonding 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, dihedral angles, and hydrogen bonding interactions.
Main Results:
- The molecule C(13)H(11)NO(4)S exhibits a trans configuration about the imine (C=N) double bond.
- Significant disorder was observed for the central benzene ring and the hydroxyl group, with distinct occupancy factors.
- Intra-molecular hydrogen bonding (O-H⋯N) and inter-molecular hydrogen bonding (O-H⋯O) forming chains along the a-axis were identified.
Conclusions:
- The crystal structure reveals specific geometric parameters and conformational preferences.
- Disorder in key functional groups impacts the overall molecular packing and symmetry.
- Hydrogen bonding plays a critical role in the supramolecular assembly of the title compound.
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