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Crystals 2012, 2(1), 137-143; doi:10.3390/cryst2010137

Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene

1 and 2,*
1 Department of Chemistry, Quaid-I-Azam University, Islamabad 45320, Pakistan 2 Department of Chemistry, University of Otago, P.O. Box 56, Dunedin 9054, New Zealand
* Author to whom correspondence should be addressed.
Received: 29 December 2011 / Revised: 12 March 2012 / Accepted: 13 March 2012 / Published: 19 March 2012
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The title compound (3) was prepared from 4-chloroaniline in good yield on successive oxidation and methylation and its crystal and molecular structure is reported. The compound crystallizes in the monoclinic space group P 21/n with unit cell dimensions a = 13.5698(8), b = 3.7195 (3), c = 13.5967 (8) Å, ß = 91.703(3) °, V = 685.96 (10) Å3. The molecule is essentially planar with a dihedral angle of 6.2(3) ° between the nitro group and the phenyl ring. The crystal structure is stabilised by π...π contacts between adjacent benzene rings together with C–H...O hydrogen bonds and close Cl...O contacts.
Keywords: chlorinated nitroaromatics; pollutants; X-ray structure chlorinated nitroaromatics; pollutants; X-ray structure
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Saeed, A.; Simpson, J. Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene. Crystals 2012, 2, 137-143.

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