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Updated: Jun 1, 2026

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
N-(2,6-Dimethyl-phen-yl)-4-methyl-benzamide
The molecular structure reveals near-orthogonal aromatic rings and a nearly coplanar amide core. Intermolecular hydrogen bonds form crystal chains, with additional C-H⋯O interactions observed in this chemical compound.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The study of intermolecular forces, such as hydrogen bonding, is fundamental to solid-state chemistry and materials science.
Purpose of the Study:
- To elucidate the detailed molecular structure of the title compound, C(16)H(17)NO, using crystallographic methods.
- To investigate the conformational preferences and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of the crystal structure included the identification of hydrogen bonding and other non-covalent interactions.
Main Results:
- The molecular structure exhibits two aromatic rings with a dihedral angle of 78.8°.
- The central amide core is nearly coplanar with the benzoyl ring (dihedral angle 3.5°).
- Infinite chains are formed through intermolecular N-H⋯O hydrogen bonds, with additional C-H⋯O interactions present.
Conclusions:
- The compound displays specific conformational characteristics influenced by the interplay between aromatic rings and the amide group.
- Intermolecular hydrogen bonding plays a significant role in organizing the molecules within the crystal structure, leading to chain formation.
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