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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-5050774 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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