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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...

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Detalles Bibliográficos
Autores principales: Yang, Luan-Fang, Hou, Hong-Bo, Liu, Yi-Ming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
Descripción
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.