2-Methylimidazolium picrate

Dutkiewicz, G. and Samshuddin, S. and Narayana, B. and Yathirajan, H. S. and Kubicki, M. (2011) 2-Methylimidazolium picrate. Acta Crystallographica Section E-Structure Reports Online, 67 (1). O235-U3435. ISSN 1600-5368

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Official URL: https://doi.org/10.1107/S1600536810053390


In both ionic components of the title salt, C4H7N2+center dot-C6H2N3O7-, the rings are approximately planar; the maximum deviation from the mean plane is an order of magnitude larger in the picrate ring 0.0289 (10) angstrom] than in the imidazolium ring 0.0028 (10) angstrom]. The nitro groups are twisted with respect to the six-atom ring plane; the NO2 groups next to the oxide O atom, at the 2- and 6-positions, are twisted more by 53.59 (9) and 18.46 (12)degrees] than the NO2 group at the 4-postition, for which the twist angle is 7.28 (16)degrees. In the crystal, N-H center dot center dot center dot O hydrogen bonds, in which the hydroxyl O atom acts as a double acceptor and one of the O atoms from a nitro group acts as an additional acceptor, connect molecules into chains along the c-axis direction. Relatively short C-H center dot center dot center dot O contacts and pi-pi interactions between symmetry-related six-membered rings centroid-centroid distances = 3.5938 (10) and 3.6223 (10) angstrom] also occur.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Users 23 not found.
Date Deposited: 13 Jun 2019 13:55
Last Modified: 27 May 2022 10:15
URI: http://eprints.uni-mysore.ac.in/id/eprint/2613

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