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Updated: Jun 1, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
N-(Cyano-meth-yl)benzamide
Summary
This study details the molecular structure of C(9)H(8)N(2)O, revealing specific dihedral angles between its functional groups. The crystal packing is characterized by N-H⋯O hydrogen bonds forming chains along the a axis.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides precise details on molecular conformation and intermolecular interactions.
Purpose of the Study:
- To elucidate the detailed molecular structure of the title compound, C(9)H(8)N(2)O.
- To investigate the intermolecular interactions and crystal packing in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational information.
Main Results:
- The amide group exhibits a dihedral angle of 21.86° relative to the benzene ring.
- The benzene ring and cyano-methyl group planes form a dihedral angle of 53.13°.
- Molecules are interconnected by N-H⋯O hydrogen bonds, resulting in a chain structure parallel to the a axis.
Conclusions:
- The study provides precise geometric parameters for C(9)H(8)N(2)O.
- The identified hydrogen bonding network dictates the crystal packing and influences the solid-state properties.
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