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Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate

Treatment of N,N-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­amine with hydro­chloric acid in ethanol led to the formation of the title salt, C(18)H(26)N(4) (2+)·2Cl(−)·2H(2)O, which lies about a crystallographic inversion center at the center of the cyclo­hexyl ring. The asymmetric unit therefore...

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Detalles Bibliográficos
Autores principales: Moon, Suk-Hee, Kang, Donghyun, Park, Ki-Min
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050774/
https://www.ncbi.nlm.nih.gov/pubmed/27746939
http://dx.doi.org/10.1107/S2056989016014626
Descripción
Sumario:Treatment of N,N-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­amine with hydro­chloric acid in ethanol led to the formation of the title salt, C(18)H(26)N(4) (2+)·2Cl(−)·2H(2)O, which lies about a crystallographic inversion center at the center of the cyclo­hexyl ring. The asymmetric unit therefore comprises one half of the N,N-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dication, a chloride anion, and a solvent water mol­ecule. In the dication, the two trans-(4-pyridine)–CH(2)–NH(2)– moieties occupy equatorial sites at the 1- and 4-positions of the central cyclo­hexyl ring, which is in a chair conformation. The terminal pyridine ring is tilted by 27.98 (5)° with respect to the mean plane of the central cyclo­hexyl moiety (r.m.s. deviation = 0.2379 Å). In the crystal, dications, anions, and solvent water mol­ecules are connected via N/C/O—H⋯Cl and N—H⋯O hydrogen bonds together with C—H⋯π inter­actions, forming a three-dimensional network.