1-Piperonylpiperazinium 4-nitrobenzoate monohydrate

Kavitha, C. N. and Kaur, Manpreet and Anderson, Brian J. and Jasinski, J. P. and Yathirajan, H. S. (2014) 1-Piperonylpiperazinium 4-nitrobenzoate monohydrate. Acta Crystallographica Section E, 70 (3). o270-o271.

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Official URL: http://dx.doi.org/10.1107/S160053681400261X


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 π-stacking interactions, with an intercentroid distance of 3.681 (4) Å between the benzene rings

Item Type: Article
Subjects: Physical Sciences > Chemistry
Divisions: PG Campuses > Manasagangotri, Mysore > Chemistry
Depositing User: Kodandarama
Date Deposited: 04 Jun 2014 05:37
Last Modified: 11 Sep 2015 05:26
URI: http://eprints.uni-mysore.ac.in/id/eprint/16765

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