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Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene
Department of Chemistry, Quaid-I-Azam University, Islamabad 45320, Pakistan
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; in revised form: 12 March 2012 / Accepted: 13 March 2012 / Published: 19 March 2012
Abstract: 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
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Saeed, A.; Simpson, J. Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene. Crystals 2012, 2, 137-143.
Saeed A, Simpson J. Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene. Crystals. 2012; 2(1):137-143.
Saeed, Aamer; Simpson, Jim. 2012. "Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene." Crystals 2, no. 1: 137-143.