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1-Piperonylpiperazinium picrate
In the cation of the title salt [systematic name: 4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-ium 2,4,6-trinitrophenolate], C(12)H(17)N(2)O(2) (+)·C(6)H(2)N(3)O(7) (−), the piperazine ring adopts a slightly disordered chair conformation. The piperonyl ring system and the piperazine ring are tw...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998354/ https://www.ncbi.nlm.nih.gov/pubmed/24764915 http://dx.doi.org/10.1107/S1600536814001524 |
Sumario: | In the cation of the title salt [systematic name: 4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-ium 2,4,6-trinitrophenolate], C(12)H(17)N(2)O(2) (+)·C(6)H(2)N(3)O(7) (−), 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 R (2) (2)(10) 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). |
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