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1,5-Bis(2-methyl-phen-yl)-3-nitro-formazan.

ABSTRACT: In the title compound, C(15)H(15)N(5)O(2), the nitro O atoms are disordered over two sets of sites with an occupancy ratio of 0.75?(4):0.25?(4). Amine-imine tautomerism is observed in the formazan group. This was evident from the similar C-N bond distances in the formazan [1.319?(2) and 1.332?(3)?Å], as well as the distribution of the imine proton in the Fourier difference map which refined to a 0.53?(3):0.47?(3) ratio. C-H?O and ?-? inter-actions [centroid-centroid distances = 3.4813?(1) and 3.3976?(1)?Å] are observed in the crystal packing.

SUBMITTER: von Eschwege KG

PROVIDER: S-EPMC3275183 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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1,5-Bis(2-methyl-phen-yl)-3-nitro-formazan.

von Eschwege Karel G KG Hosten Eric C EC Muller Alfred A

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

In the title compound, C(15)H(15)N(5)O(2), the nitro O atoms are disordered over two sets of sites with an occupancy ratio of 0.75 (4):0.25 (4). Amine-imine tautomerism is observed in the formazan group. This was evident from the similar C-N bond distances in the formazan [1.319 (2) and 1.332 (3) Å], as well as the distribution of the imine proton in the Fourier difference map which refined to a 0.53 (3):0.47 (3) ratio. C-H⋯O and π-π inter-actions [centroid-centroid distances = 3.4813 (1) and 3. ...[more]

PMID: 22347039

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