1-Piperonylpiperazinium 4-nitrobenzoate monohydrate

Kavitha, C. N. and Kaur, M. and Anderson, B. J. and Jasinski, J. P. and Yathirajan, H. S. (2014) 1-Piperonylpiperazinium 4-nitrobenzoate monohydrate. Acta Crystallographica Section E: Structure Reports Online, 70 (3). o270-o271. ISSN 1600-5368

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Official URL: https://doi.org/10.1107/S160053681400261X

Abstract

In the title hydrated salt [systematic name: 1-(1,3-benzodioxol-5-ylmeth­yl)piperazin-1-ium 4-nitro­benzoate monohydrate], C12H17N2O2+·C7H4NO4-·H2O, the piperazinium ring of the cation adopts a slightly distorted chair conformation. The piperonyl and piperazine rings are rotated with respect to each other with an N-C-C-C torsion angle of 45.6 (2)°. In the anion, the nitro group is almost coplanar with the adjacent benzene ring, forming a dihedral angle of only 3.9 (4)°. In the crystal, the cations, anions and water mol­ecules are linked through N-H...O and O-H...O hydrogen bonds into chains along the a axis. In addition, weaker inter­molecular C-H...O inter­actions are also observed within the chains. The anions form centrosymmetric couples through [pi]-stacking inter­actions, with an inter­centroid distance of 3.681 (4) Å between the benzene rings.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Arshiya Kousar
Date Deposited: 27 Jun 2019 06:36
Last Modified: 27 Jun 2019 06:36
URI: http://eprints.uni-mysore.ac.in/id/eprint/3691

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