Chemical Microscopy

McCrone, W. C.

doi:10.1021/ac60085a008

Cited by 2 publications

(1 citation statement)

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“…For the synthesis and properties of dinitro derivatives of pxylene, see: Kobe & Hudson (1950); Johnson & Northcott (1967); Liu et al (2005a). For single-crystal diffraction studies of dinitrotoluene, see: McCrone (1954); Nie et al (2001); Hanson et al (2004). For single-crystal diffraction studies of nitro derivatives of simple aromatic compounds, see: Ori et al (1989); Graham et al (2004); Liu et al (2005b); Demartin et al (2004).…”

Section: Related Literaturementioning

confidence: 99%

2,5-Dimethyl-1,3-dinitrobenzene

Johnston

Crather

2011

Acta Cryst E

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The title compound, C8H8N2O4, was prepared via the nitration of p-xylene. The molecules are stacked along the c axis in an antiparallel manner. The two nitro groups are rotated relative to the benzene ring with dihedral angles of 44.50 (7) and 31.67 (8)°. The tilt of the nitro groups allows the formation of C—H...O interactions between the ring C—H and nitro groups of adjacent molecules creating puckered sheets perpendicular to the c axis. The H atoms of the methyl group in the 5-position are disordered (60° rotation) with an occupancy of 0.616 (19) for the major component. The crystal was found to be a non-merohedral twin with a twin law [−1 −0.002 0.005, 0.00031 −1 0.002, 0.118 −0.007 1] corresponding to a rotation of 180° about the reciprocal axis (001) and refined to give a minor component fraction of 0.320 (2)

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