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:
Organic Papers
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
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author Yang, Luan-Fang
Hou, Hong-Bo
Liu, Yi-Ming
author_facet Yang, Luan-Fang
Hou, Hong-Bo
Liu, Yi-Ming
author_sort Yang, Luan-Fang
collection PubMed
description 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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spelling pubmed-34142982012-08-17 4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate Yang, Luan-Fang Hou, Hong-Bo Liu, Yi-Ming Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2012-07-07 /pmc/articles/PMC3414298/ /pubmed/22904831 http://dx.doi.org/10.1107/S160053681203019X Text en © Yang et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Yang, Luan-Fang
Hou, Hong-Bo
Liu, Yi-Ming
4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
title 4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
title_full 4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
title_fullStr 4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
title_full_unstemmed 4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
title_short 4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
title_sort 4-(4,5-dihydro-1h-benzo[g]indazol-3-yl)pyridinium chloride dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414298/
https://www.ncbi.nlm.nih.gov/pubmed/22904831
http://dx.doi.org/10.1107/S160053681203019X
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