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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
N-Hydr-oxy-N-o-tolyl-acetamide.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the molecular structure of a novel organic compound, C(9)H(11)NO(2). It reveals intramolecular hydrogen bonding forming a planar ring and intermolecular interactions contributing to crystal stacking.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding molecular interactions is crucial for materials science.
- Crystal packing influences compound properties.
- Hydrogen bonding and pi-pi interactions are key intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(9)H(11)NO(2).
- To investigate the role of intramolecular and intermolecular forces in its molecular arrangement.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond distances, angles, and intermolecular contacts.
Main Results:
- The methyl C and N atoms are coplanar with the benzene ring.
- An intramolecular hydrogen bond forms a planar five-membered ring.
- This ring is oriented at a dihedral angle of 81.37° relative to the benzene ring.
- Intermolecular hydrogen bonds link molecules along the b-axis.
- Pi-pi interactions with a stacking distance of 3.434 Å were observed.
Conclusions:
- The crystal structure of C(9)H(11)NO(2) is characterized by a specific arrangement driven by intra- and intermolecular hydrogen bonding.
- These interactions dictate the molecule's packing in the solid state and influence its overall structural properties.
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