1,5-Bis(2-methylphenyl)-3-nitroformazan

Karel G. von Eschwege; Eric C. Hosten; Alfred Muller

doi:10.1107/S1600536812001171

1,5-Bis(2-methylphenyl)-3-nitroformazan

Karel G. von Eschwege, Eric C. Hosten, Alfred Muller

Chemical Sciences

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

In the title compound, C₁₅H₁₅N₅O 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 interactions [centroid-centroid distances = 3.4813 (1) and 3.3976 (1) Å] are observed in the crystal packing.

Original language	English
Pages (from-to)	o425
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	2
DOIs	https://doi.org/10.1107/S1600536812001171
Publication status	Published - Feb 2012

Keywords

R factor = 0.060
T = 200 K
data-to-parameter ratio = 16.4
disorder in main residue
mean σ(C-C) = 0.003 Å
single-crystal X-ray study
wR factor = 0.180

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S1600536812001171

Cite this

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title = "1,5-Bis(2-methylphenyl)-3-nitroformazan",

abstract = "In the title compound, C15H15N5O 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) {\AA}], 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 interactions [centroid-centroid distances = 3.4813 (1) and 3.3976 (1) {\AA}] are observed in the crystal packing.",

keywords = "R factor = 0.060, T = 200 K, data-to-parameter ratio = 16.4, disorder in main residue, mean σ(C-C) = 0.003 {\AA}, single-crystal X-ray study, wR factor = 0.180",

author = "{von Eschwege}, {Karel G.} and Hosten, {Eric C.} and Alfred Muller",

year = "2012",

month = feb,

doi = "10.1107/S1600536812001171",

language = "English",

volume = "68",

pages = "o425",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

number = "2",

}

TY - JOUR

T1 - 1,5-Bis(2-methylphenyl)-3-nitroformazan

AU - von Eschwege, Karel G.

AU - Hosten, Eric C.

AU - Muller, Alfred

PY - 2012/2

Y1 - 2012/2

N2 - In the title compound, C15H15N5O 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 interactions [centroid-centroid distances = 3.4813 (1) and 3.3976 (1) Å] are observed in the crystal packing.

AB - In the title compound, C15H15N5O 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 interactions [centroid-centroid distances = 3.4813 (1) and 3.3976 (1) Å] are observed in the crystal packing.

KW - R factor = 0.060

KW - T = 200 K

KW - data-to-parameter ratio = 16.4

KW - disorder in main residue

KW - mean σ(C-C) = 0.003 Å

KW - single-crystal X-ray study

KW - wR factor = 0.180

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U2 - 10.1107/S1600536812001171

DO - 10.1107/S1600536812001171

M3 - Article

AN - SCOPUS:84856959297

SN - 1600-5368

VL - 68

SP - o425

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -

1,5-Bis(2-methylphenyl)-3-nitroformazan

Abstract

Keywords

ASJC Scopus subject areas

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