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Updated: Jun 1, 2026
07:38
A General Method for Detecting Nitrosamide Formation in the In Vitro Metabolism of Nitrosamines by Cytochrome P450s
Published on: September 25, 2017
3-Nitro-N-(8-quinol-yl)benzamide.
Gang Lei1, Lin-Hai Jing, Li Zhou
1School of Chemistry and Chemical Engineering, China West Normal University, Nanchong 637002, People's Republic of China.
Summary
This study details the crystal structure of a compound (C16H11N3O3), revealing two similar molecules. Crystal packing is influenced by hydrogen bonds and pi-pi interactions, impacting molecular arrangement.
Area of Science:
- Crystallography
- Molecular Chemistry
- Solid-State Physics
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- The quinoline and nitro-benzene moieties are common pharmacophores and functional groups in materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C16H11N3O3.
- To analyze the molecular conformation and intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of dihedral angles and intermolecular interactions (hydrogen bonds, pi-pi stacking) was performed.
Main Results:
- The asymmetric unit contains two nearly identical independent molecules of C16H11N3O3.
- Dihedral angles between the quinoline and nitro-benzene rings are approximately 51.04° and 48.91°.
- Crystal packing is stabilized by C-H⋯O hydrogen bonds and π-π interactions with a centroid-centroid distance of 3.6010(15) Å.
Conclusions:
- The study provides precise structural data for C16H11N3O3.
- The observed crystal packing suggests specific intermolecular forces dictate the solid-state arrangement, relevant for materials design.
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