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Dataset Information

5-Methyl-2-nitro-aniline.


ABSTRACT: 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.

SUBMITTER: Samson L 

PROVIDER: S-EPMC12412678 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature