3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)

In the title co-crystal, C(20)H(40)N(4)·2C(11)H(10)O, the macrocycle is generated by a crystallographic inversion centre. The N atoms show a pyramidal coordination, and the cyclo­hexane ring that is fused to the 14-membered C(10)N(4) ring exists in a chair conformation, whereas the methyl substituen...

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Autores principales: Choi, Jong-Ha, Subhan, Md Abdus, Ryoo, Keon Sang, Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254450/
https://www.ncbi.nlm.nih.gov/pubmed/22259389
http://dx.doi.org/10.1107/S160053681105272X
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author Choi, Jong-Ha
Subhan, Md Abdus
Ryoo, Keon Sang
Ng, Seik Weng
author_facet Choi, Jong-Ha
Subhan, Md Abdus
Ryoo, Keon Sang
Ng, Seik Weng
author_sort Choi, Jong-Ha
collection PubMed
description In the title co-crystal, C(20)H(40)N(4)·2C(11)H(10)O, the macrocycle is generated by a crystallographic inversion centre. The N atoms show a pyramidal coordination, and the cyclo­hexane ring that is fused to the 14-membered C(10)N(4) ring exists in a chair conformation, whereas the methyl substituent occupies an axial site. The (naphthalen-1-yl)methanol mol­ecule forms an O—H⋯N hydrogen bond to a cyclam N atom. The mean-square-plane passing through the 14-membered ring is approximately coplanar with the naphthalene fused-ring [dihedral angle = 6.6 (1)°].
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spelling pubmed-32544502012-01-18 3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2) Choi, Jong-Ha Subhan, Md Abdus Ryoo, Keon Sang Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title co-crystal, C(20)H(40)N(4)·2C(11)H(10)O, the macrocycle is generated by a crystallographic inversion centre. The N atoms show a pyramidal coordination, and the cyclo­hexane ring that is fused to the 14-membered C(10)N(4) ring exists in a chair conformation, whereas the methyl substituent occupies an axial site. The (naphthalen-1-yl)methanol mol­ecule forms an O—H⋯N hydrogen bond to a cyclam N atom. The mean-square-plane passing through the 14-membered ring is approximately coplanar with the naphthalene fused-ring [dihedral angle = 6.6 (1)°]. International Union of Crystallography 2011-12-14 /pmc/articles/PMC3254450/ /pubmed/22259389 http://dx.doi.org/10.1107/S160053681105272X Text en © Choi et al. 2012 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
Ryoo, Keon Sang
Ng, Seik Weng
3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)
title 3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)
title_full 3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)
title_fullStr 3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)
title_full_unstemmed 3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)
title_short 3,14-Dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)
title_sort 3,14-dimethyl-2,6,13,17-tetra­aza­tricyclo­[16.4.0.0(7,12)]docosa­ne–(naphthalen-1-yl)methanol (1/2)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254450/
https://www.ncbi.nlm.nih.gov/pubmed/22259389
http://dx.doi.org/10.1107/S160053681105272X
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