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4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
In the cation of the title compound, C(16)H(14)N(3) (+)·Cl(−)·2H(2)O, the cyclohexa-1,3-diene ring displays a screw-boat conformation and the pyridine ring is slightly twisted with respect to the pyrazole ring with a dihedral angle of 4.56 (12)°. In the crystal, ions and water molecules are linked...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414298/ https://www.ncbi.nlm.nih.gov/pubmed/22904831 http://dx.doi.org/10.1107/S160053681203019X |
Sumario: | In the cation of the title compound, C(16)H(14)N(3) (+)·Cl(−)·2H(2)O, the cyclohexa-1,3-diene ring displays a screw-boat conformation and the pyridine ring is slightly twisted with respect to the pyrazole ring with a dihedral angle of 4.56 (12)°. In the crystal, ions and water molecules are linked into a three-dimensional network by classical N—H⋯O, N—H⋯Cl, O—H⋯Cl and O—H⋯O hydrogen bonds and by π–π stacking interactions, with centroid–centroid distances of 3.7580 (14) and 3.7794 (14) Å. |
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