Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 10 (October 2003)

Acta Cryst. (2003). C59, o564-o566 [doi:10.1107/S0108270103017888]

Rearrangement products of 3-methanesulfonyl-N-methyl-N-nitroaniline

B. Zarychta, Z. Daszkiewicz, J. B. Kyziol and J. Zaleski

Abstract: Two isomeric products (C₈H₁₀N₂O₄S) of the rearrangement of 3-methanesulfonyl-N-methyl-N-nitroaniline have been investigated, viz. 3-methanesulfonyl-N-methyl-2-nitroaniline, which was the main product of the rearrangement, and 5-methanesulfonyl-N-methyl-2-nitroaniline. In both molecules, the aromatic rings are appreciably deformed towards ortho-quinonoidal geometry by electronic and steric interactions. The crystal structure is stabilized, in both cases, by weak C-HO hydrogen bonds.

Formula: C₈H₁₀N₂O₄S

Online 23 September 2003


	Structure factor file (CIF format) (85.2 kbytes) Contains datablock I

	Structure factor file (CIF format) (108.8 kbytes) Contains datablock II

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