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Physical Sciences and Mathematics

University of Wollongong

Australian Institute for Innovative Materials - Papers

2007

Methoxy

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5-Methoxy-2-Methyl-4-Nitro-1-Phenyl-1h-Imidazole, Pawel Wagner, Maciej Kubicki Jan 2007

5-Methoxy-2-Methyl-4-Nitro-1-Phenyl-1h-Imidazole, Pawel Wagner, Maciej Kubicki

Australian Institute for Innovative Materials - Papers

The title compound, C11H11N3O3, contains two planar fragments, viz. the imidazole and phenyl rings. These rings are significantly twisted with respect one to another, with a dihedral angle of 63.99 (8)°. The nitro group is almost coplanar with the imidazole plane, while the methoxy group is almost perpendicular to it [the C—C—O—C torsion angle is 65.1 (4)°]. In spite of this, there is a short C(methoxy)—H...O(nitro) contact that might be regarded as an intramolecular hydrogen bond. Weak intermolecular C—H...N(imidazole) and C—H...O(nitro) hydrogen bonds create quite a complicated network that consists of …


2-Methoxy-1-Methyl-4-Nitro-1h-Imidazole, Maciej Kubicki, Pawel Wagner Jan 2007

2-Methoxy-1-Methyl-4-Nitro-1h-Imidazole, Maciej Kubicki, Pawel Wagner

Australian Institute for Innovative Materials - Papers

The molecule of the title compound, C5H7N3O3, is approximately planar. The maximum deviation from the least-squares plane calculated for all non-H atoms is 0.054 (2) Å. The dihedral angles between the mean plane of the imidazole ring [planar within 0.0017 (6) Å] and the planes of the nitro and methoxy groups are 2.9 (1) and 1.2 (1)°, respectively. The molecules are held together by weak C—H...N and C—H...O interactions and by van der Waals forces.