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

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

1 and 2,* email
Received: 29 December 2011; in revised form: 12 March 2012 / Accepted: 13 March 2012 / Published: 19 March 2012
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.
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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MDPI and ACS Style

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

AMA Style

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

Chicago/Turabian Style

Saeed, Aamer; Simpson, Jim. 2012. "Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene." Crystals 2, no. 1: 137-143.

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