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5-tert-Butyl-2-methoxy-1,3-dinitrobenzene

✍ Scribed by Ye, Yu-Yuan

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
507 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 11 H 14 N 2 O 5 , was prepared by the reaction of HNO 3 and 1-tert-butyl-4-methoxybenzene. The atoms of the benzene ring, the nitro N atoms, the methoxy O atom and the tert-butyl tertiary C atom are coplanar; the dihedral angles between this plane and the NO 2 planes are 50.41 (18) and 20.2 (3) . There are weak C-HÁ Á ÁO intermolecular interactions.

Related literature

For related literature, see: Kwiatkowski et al. (1997).

Experimental

Crystal data C 11 H 14 N 2 O 5 M r = 254.24 Monoclinic, C2=c a = 21.7800 (18) A ˚b = 12.3756 (10) A c = 10.0521 (8) A = 110.686 (3) V = 2534.8 (4) A ˚3 Z = 8 Mo K radiation = 0.11 mm À1 T = 298 (2) K 0.30 Â 0.25 Â 0.20 mm Data collection Enraf-Nonius CAD-4 diffractometer Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T min = 0.956, T max = 0.979 16809 measured reflections 3063 independent reflections 2411 reflections with I > 2(I) R int = 0.024 3 standard reflections frequency: 60 min intensity decay: 0.3% Refinement R[F 2 > 2(F 2 )] = 0.051 wR(F 2 ) = 0.162 S = 1.03 3063 reflections

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