3-(1H-Imidazol-1-yl)propanaminium 2-carb­­oxy-4,6-di­nitro­phenolate

Yamuna, T. S. and Kaur, Manpreet and Anderson, Brian J. and Jasinski, Jerry P. and Yathirajan, H. S. (2014) 3-(1H-Imidazol-1-yl)propanaminium 2-carb­­oxy-4,6-di­nitro­phenolate. Acta Crystallographica Section E, 70 (3). o318-o319. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S1600536814003146


In the title salt, C6H12N3+·C7H3N2O7−, the imidazole ring is planar, with a maximum deviation of 0.0013 (14) Å for the N attached to the propanaminium group. In the anion, a single intra­molecular O—H⋯O hydrogen bond is observed. The mean planes of the nitro groups in the anion are twisted from the benzene ring mean plane making dihedral angles of 24.7 (9) and 3.9 (6)°. In the crystal, the ammonium H atoms form N—H⋯N and N—H⋯O hydrogen bonds, resulting in an infinite chain along [111]. In addition to the classical hydrogen bonds, weak C—H⋯O and π–π [centroid–centroid distance = 3.7124 (9) Å] inter­actions are also observed, which lead to the formation a three-dimensional supramolecular structure that links the chains into layers along the bc plane.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: MUL SWAPNA user
Date Deposited: 06 Nov 2019 05:44
Last Modified: 06 Nov 2019 05:44
URI: http://eprints.uni-mysore.ac.in/id/eprint/9825

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