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

Brihi O, Hamdouni N, Boudjada A, Meinnel J - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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.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⋯O inter-action is also present.

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Affiliation: Laboratoire de Cristallographie, Département de Physique, Université Mentouri-Constantine, 25000 Constantine, Algeria.

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⋯O inter-action is also present.

No MeSH data available.


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The crystal packing of (I) at 293 K, along the b axis.
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Fap2: The crystal packing of (I) at 293 K, along the b axis.


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

Brihi O, Hamdouni N, Boudjada A, Meinnel J - Acta Crystallogr E Crystallogr Commun (2015)

The crystal packing of (I) at 293 K, along the b axis.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555366&req=5

Fap2: The crystal packing of (I) at 293 K, along the b axis.
Bottom Line: 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.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⋯O inter-action is also present.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Cristallographie, Département de Physique, Université Mentouri-Constantine, 25000 Constantine, Algeria.

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⋯O inter-action is also present.

No MeSH data available.


Related in: MedlinePlus