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2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate
One of the tertiary amine atoms has been protonated in the title salt, C(36)H(57)N(4) (+)·NO(3) (−). The four N atoms of the macrocycle are almost coplanar (r.m.s. deviation = 0.0053 Å), a result correlated with the formation of intramolecular N—H⋯N and N—H⋯(N,N) hydrogen bonds. With respect to thi...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213608/ https://www.ncbi.nlm.nih.gov/pubmed/22091185 http://dx.doi.org/10.1107/S1600536811029692 |
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author | Choi, Jong-Ha Subhan, Md Abdus Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Choi, Jong-Ha Subhan, Md Abdus Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Choi, Jong-Ha |
collection | PubMed |
description | One of the tertiary amine atoms has been protonated in the title salt, C(36)H(57)N(4) (+)·NO(3) (−). The four N atoms of the macrocycle are almost coplanar (r.m.s. deviation = 0.0053 Å), a result correlated with the formation of intramolecular N—H⋯N and N—H⋯(N,N) hydrogen bonds. With respect to this plane, the benzyl groups lie to either side; a similar arrangement pertains for the cyclohexyl rings (each with a chair conformation). Helical supramolecular chains are evident in the crystal, whereby alternating cations and anions are linked by C—H⋯O interactions. The chains are consolidated into supramolecular arrays in the ab plane via C—H⋯π contacts involving both benzene rings. |
format | Online Article Text |
id | pubmed-3213608 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32136082011-11-16 2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate Choi, Jong-Ha Subhan, Md Abdus Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers One of the tertiary amine atoms has been protonated in the title salt, C(36)H(57)N(4) (+)·NO(3) (−). The four N atoms of the macrocycle are almost coplanar (r.m.s. deviation = 0.0053 Å), a result correlated with the formation of intramolecular N—H⋯N and N—H⋯(N,N) hydrogen bonds. With respect to this plane, the benzyl groups lie to either side; a similar arrangement pertains for the cyclohexyl rings (each with a chair conformation). Helical supramolecular chains are evident in the crystal, whereby alternating cations and anions are linked by C—H⋯O interactions. The chains are consolidated into supramolecular arrays in the ab plane via C—H⋯π contacts involving both benzene rings. International Union of Crystallography 2011-07-30 /pmc/articles/PMC3213608/ /pubmed/22091185 http://dx.doi.org/10.1107/S1600536811029692 Text en © Choi et al. 2011 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 Choi, Jong-Ha Subhan, Md Abdus Ng, Seik Weng Tiekink, Edward R. T. 2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate |
title | 2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate |
title_full | 2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate |
title_fullStr | 2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate |
title_full_unstemmed | 2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate |
title_short | 2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate |
title_sort | 2,13-dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosan-2-ium nitrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213608/ https://www.ncbi.nlm.nih.gov/pubmed/22091185 http://dx.doi.org/10.1107/S1600536811029692 |
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