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Updated: Jan 18, 2026

A General Method for Detecting Nitrosamide Formation in the In Vitro Metabolism of Nitrosamines by Cytochrome P450s
Published on: September 25, 2017
5-Methyl-2-nitro-aniline
Lily Samson1, Lydia Banwart1, Sajan Silwal1
1Department of Chemistry and Physics Southeast Missouri State University,Cape Girardeau MO 63701 USA.
None:
The bond lengths and angles within the title mol-ecule, C7H8N2O2, conform to average values for other 5-substituted-2-nitro-anilines, and with those calculated by a DFT geometry optimization. The short C-NH2 bond length of 1.3469 (12) Å is indicative of substantial involvement of the aniline N-atom in the aromatic π bonding system of the ring. In the extended structure, N-H⋯O hydrogen bonds link the mol-ecules into [001] tapes, which aggregate into zipper-like folded ribbons. Layers of parallel ribbons stack along a to complete the structure.
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