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Crystal structure of 1,3,5-trimethyl-2,4-di-nitro-benzene

Abstract : In the title compound, C9H10N2O4, the planes of the nitro groups subtend dihedral angles of 55.04 (15) and 63.23 (15)° with that of the aromatic ring. These tilts are in opposite senses and the mol-ecule possesses approximate mirror symmetry about a plane normal to the mol-ecule. In the crystal, mol-ecules form stacks in the [100] direction with adjacent mol-ecules related by translation, although the centroid-centroid separation of 4.136 (5) Å is probably too long to regard as a significant aromatic π-π stacking inter-action. An extremely weak C-H(midline ellipsis)O inter-action is also present.
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Submitted on : Friday, October 2, 2015 - 3:25:58 PM
Last modification on : Friday, July 10, 2020 - 4:07:28 PM

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Ouarda Brihi, Noudjoud Hamdouni, Ali Boudjada, Jean Meinnel. Crystal structure of 1,3,5-trimethyl-2,4-di-nitro-benzene. Acta crystallographica. Section E, Crystallographic communications, International Union of Crystallography, 2015, 71 (9), pp.o670--1. ⟨10.1107/S2056989015014243⟩. ⟨hal-01208415⟩

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