1-Piperonylpiperazinium 4-nitro­benzoate monohydrate

Kavitha, C. N. and Kaur, Manpreet and Anderson, Brian J. and Jasinski, Jerry P. and Yathirajan, H. S. (2014) 1-Piperonylpiperazinium 4-nitro­benzoate monohydrate. Acta Crystallographica Section E, 70 (3). o270-o271. ISSN 2056-9890

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Official URL: https://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: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: MUL SWAPNA user
Date Deposited: 06 Nov 2019 05:47
Last Modified: 06 Nov 2019 05:47
URI: http://eprints.uni-mysore.ac.in/id/eprint/9826

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