1-Piperonylpiperazinium picrate

Kavitha, C. N. and Kaur, M. and Anderson, B. J. and Jasinski, J. P. and Yathirajan, H. S. (2014) 1-Piperonylpiperazinium picrate. Acta Crystallographica Section E: Structure Reports Online, 70 (2). o208-o209. ISSN 1600-5368

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Official URL: https://doi.org/10.1107/S1600536814001524

Abstract

In the cation of the title salt systematic name: 4-(2H-1,3-benzodioxol-5- ylmethyl)piperazin-1-ium 2,4,6-trinitrophenolate, C12H17N2O2 +-C6H2N3O7-, the piperazine ring adopts a slightly disordered chair conformation. The piperonyl ring system and the piperazine ring are twisted with respect to each other with an N - C - C - C torsion angle of 40.7(2)°. In the anion, the dihedral angles between the mean planes of the nitro substituents ortho to the phenolate O atom and the mean plane of the phenyl ring are 28.8(9) and 32.2(8)°. In contrast, the nitro group in the para position lies much closer to the aromatic ring plane, subtending a dihedral angle of 3.0(1)°. In the crystal, the cations and anions interact through N - HO hydrogen bonds and a weak C - HO interaction. Weak C - HO interactions are also observed between the anions, forming R 22(10) graph-set ring motifs. In addition, a weak centroid-centroid �-� stacking interaction between the aromatic rings of the cation and the anion, with an intercentroid distance of 3.7471(9)à , contributes to the crystal packing, resulting in a two-dimensional network along (10-1).

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Arshiya Kousar
Date Deposited: 25 Jun 2019 11:01
Last Modified: 25 Jun 2019 11:01
URI: http://eprints.uni-mysore.ac.in/id/eprint/3694

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