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Updated: May 11, 2026

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
1-(2-Methyl-5-nitro-1H-imidazol-1-yl)acetone
Sammer Yousuf1, Khalid M Khan, Frazana Naz
1H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
This study details the molecular structure of C7H9N3O3, revealing specific tilts of nitro and carbonyl groups relative to the imidazole ring. Hydrogen bonds form 2D networks, offering insights into crystal packing and intermolecular interactions.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding molecular geometry and intermolecular forces is crucial in materials science.
- Imidazole derivatives are important in various chemical applications.
Purpose of the Study:
- To elucidate the crystal structure and hydrogen bonding of the title compound C7H9N3O3.
- To analyze the spatial arrangement of functional groups within the molecule.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the molecular structure.
- Analysis of C-H⋯N and C-H⋯O interactions was performed.
Main Results:
- The nitro group exhibits a tilt of 9.16° and the carbonyl group a tilt of 65.47° relative to the imidazole ring.
- Two-dimensional slab-like networks are formed through intermolecular hydrogen bonds.
- These networks are oriented parallel to the (01-1) crystallographic plane.
Conclusions:
- The study provides precise structural data for C7H9N3O3.
- The identified hydrogen bonding patterns explain the formation of extended 2D networks in the crystal lattice.
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