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Updated: May 3, 2026

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
2-Amino-6-chloro-N-methyl-benzamide
Yan-Hui Liang1, Xiang-Dong Mei1, Yao-Fa Li2
1State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, People's Republic of China.
The crystal structure of a novel chloro-amide compound (C8H9ClN2O) was determined. Molecules form layered structures through hydrogen bonding, revealing a specific dihedral angle between the benzene ring and methyl-amide group.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Crystal engineering utilizes intermolecular forces to design materials with desired characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C8H9ClN2O.
- To investigate the intermolecular interactions governing the solid-state packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal packing revealed the presence and geometry of hydrogen bonds.
Main Results:
- The dihedral angle between the benzene ring and the methyl-amide substituent was precisely measured as 68.39(11)°.
- The crystal structure is characterized by N-H⋯O hydrogen bonds, leading to the formation of layered assemblies parallel to the ab plane.
Conclusions:
- The study provides detailed structural information on C8H9ClN2O, highlighting the role of hydrogen bonding in its crystal architecture.
- The findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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