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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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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
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author Moon, Suk-Hee
Kang, Donghyun
Park, Ki-Min
author_facet Moon, Suk-Hee
Kang, Donghyun
Park, Ki-Min
author_sort Moon, Suk-Hee
collection PubMed
description 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.
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spelling pubmed-50507742016-10-14 Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate Moon, Suk-Hee Kang, Donghyun Park, Ki-Min Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2016-09-23 /pmc/articles/PMC5050774/ /pubmed/27746939 http://dx.doi.org/10.1107/S2056989016014626 Text en © Moon et al. 2016 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 Research Communications
Moon, Suk-Hee
Kang, Donghyun
Park, Ki-Min
Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
title Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
title_full Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
title_fullStr Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
title_full_unstemmed Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
title_short Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
title_sort crystal structure of n,n′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050774/
https://www.ncbi.nlm.nih.gov/pubmed/27746939
http://dx.doi.org/10.1107/S2056989016014626
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