Vol 70: 1-Piperonylpiperazinium picrate.Report as inadecuate



 Vol 70: 1-Piperonylpiperazinium picrate.


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This article is from Acta Crystallographica Section E: Structure Reports Online, volume 70.AbstractIn the cation of the title salt systematic name: 4-2H-1,3-benzodioxol-5-ylmeth­ylpiperazin-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—H⋯O hydrogen bonds and a weak C—H⋯O inter­action. Weak C—H⋯O inter­actions are also observed between the anions, forming R2210 graph-set ring motifs. In addition, a weak centroid–centroid π–π stacking inter­action between the aromatic rings of the cation and the anion, with an inter­centroid distance of 3.7471 9 Å, contributes to the crystal packing, resulting in a two-dimensional network along 10-1.



Author: Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.

Source: https://archive.org/







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