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Updated: May 26, 2026

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
3-Methyl-N-(4-methyl-phen-yl)benzamide.
This study details the molecular structure of a novel organic compound, C(15)H(15)NO. It reveals significant twists in its amide core and aromatic rings, with molecules forming crystal chains via hydrogen bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Amide-containing compounds are prevalent in pharmaceuticals and materials science, making their structural characterization important.
Purpose of the Study:
- To elucidate the detailed molecular geometry and crystal packing of the title compound, C(15)H(15)NO.
- To investigate the conformational preferences of the aromatic rings and the central amide core.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the precise atomic coordinates and bond parameters.
- Analysis of the crystal structure included measuring dihedral angles and identifying intermolecular interactions.
Main Results:
- The study determined a dihedral angle of 70.06° between the two aromatic rings.
- The amide core exhibited significant twists of 30.24° and 40.16° relative to the phenyl rings.
- Disordered methyl groups and N-H⋯O hydrogen bonds forming infinite chains along the a-axis were observed.
Conclusions:
- The title compound displays a non-planar conformation with substantial torsional angles in its core structure.
- Intermolecular hydrogen bonding dictates the crystal packing, leading to one-dimensional chain formation.
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