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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...

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Detalles Bibliográficos
Autores principales: Choi, Jong-Ha, Subhan, Md Abdus, Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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