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2-Methyl-imidazolium picrate.

ABSTRACT: In both ionic components of the title salt, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (-), 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)?Å] than in the imidazolium ring [0.0028?(10)?Å. The nitro groups are twisted with respect to the six-atom ring plane; the NO(2) groups next to the oxide O atom, at the 2- and 6-positions, are twisted more [by 53.59?(9) and 18.46?(12)°] than the NO(2) group at the 4-postition, for which the twist angle is 7.28?(16)°. In the crystal, N-H?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 mol-ecules into chains along the c-axis direction. Relatively short C-H?O contacts and ?-? inter-actions between symmetry-related six-membered rings [centroid-centroid distances = 3.5938?(10) and 3.6223?(10)?Å] also occur.

SUBMITTER: Dutkiewicz G

PROVIDER: S-EPMC3050384 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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2-Methyl-imidazolium picrate.

Dutkiewicz Grzegorz G Samshuddin S S Samshuddin S S Narayana B B Yathirajan H S HS Kubicki Maciej M

Acta crystallographica. Section E, Structure reports online 20101224 Pt 1

In both ionic components of the title salt, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (-), 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) Å] than in the imidazolium ring [0.0028 (10) Å. The nitro groups are twisted with respect to the six-atom ring plane; the NO(2) groups next to the oxide O atom, at the 2- and 6-positions, are twisted more [by 53.59 (9) and 18.46 (12)°] than the NO(2) group at the 4-postitio ...[more]

PMID: 21522735

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