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4-Nitroanilinium triiodide monohydrate
In the title compound, C(6)H(7)N(2)O(2) (+)·I(3) (−)·H(2)O, the triiodide anions form two-dimensional sheets along the a and c axes. These sheets are separated by the 4-nitroanilinium cations and water molecules, which form part of an extended hydrogen-bonded chain with the triiodide along the c a...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979194/ https://www.ncbi.nlm.nih.gov/pubmed/21579225 http://dx.doi.org/10.1107/S1600536810014674 |
Sumario: | In the title compound, C(6)H(7)N(2)O(2) (+)·I(3) (−)·H(2)O, the triiodide anions form two-dimensional sheets along the a and c axes. These sheets are separated by the 4-nitroanilinium cations and water molecules, which form part of an extended hydrogen-bonded chain with the triiodide along the c axis, represented by the graph set C (3) (3)(14). The second important hydrogen-bonding interaction is between the nitro group, the water molecule and the anilinium group, which forms an R (2) (2)(6) ring and may be the reason for the deviation of the torsion angle between the benzene ring and the nitro group from 180 to 163.2 (4)°. These two strong hydrogen-bonding interactions also cause the benzene rings to pack off-centre from one another, with an edge-on-edge π–π stacking distance of 3.634 (6) Å and a centroid–centroid separation of 4.843 (2) Å. |
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