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(1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate
The title compound, C(16)H(20)N(4)·H(2)O, was synthesized from cis-1,2-diaminocyclohexane (a racemic mixture of the (1R,2S) and (1S,2R) enantiomers). The compound crystallized with two molecules (A and B) in the asymmetric unit with a single water solvent molecule per Schiff base molecule. Mol...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588954/ https://www.ncbi.nlm.nih.gov/pubmed/23476190 http://dx.doi.org/10.1107/S1600536812046193 |
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author | Akerman, Kate J. |
author_facet | Akerman, Kate J. |
author_sort | Akerman, Kate J. |
collection | PubMed |
description | The title compound, C(16)H(20)N(4)·H(2)O, was synthesized from cis-1,2-diaminocyclohexane (a racemic mixture of the (1R,2S) and (1S,2R) enantiomers). The compound crystallized with two molecules (A and B) in the asymmetric unit with a single water solvent molecule per Schiff base molecule. Molecules A and B have similar conformations as illustrated by the least-squares-fit with an r.m.s. deviation of 0.242 Å. The molecules within the asymmetric unit are bridged by hydrogen bonds to the two water molecules, resulting in a heterotetramer. The water molecule acts as both a hydrogen-bond donor and acceptor. The pyrrole-imine units are not co-planar, making an angle of 73.9 (3)° and 76.9 (3)° in molecules A and B, respectively. |
format | Online Article Text |
id | pubmed-3588954 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35889542013-03-08 (1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate Akerman, Kate J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(20)N(4)·H(2)O, was synthesized from cis-1,2-diaminocyclohexane (a racemic mixture of the (1R,2S) and (1S,2R) enantiomers). The compound crystallized with two molecules (A and B) in the asymmetric unit with a single water solvent molecule per Schiff base molecule. Molecules A and B have similar conformations as illustrated by the least-squares-fit with an r.m.s. deviation of 0.242 Å. The molecules within the asymmetric unit are bridged by hydrogen bonds to the two water molecules, resulting in a heterotetramer. The water molecule acts as both a hydrogen-bond donor and acceptor. The pyrrole-imine units are not co-planar, making an angle of 73.9 (3)° and 76.9 (3)° in molecules A and B, respectively. International Union of Crystallography 2012-11-17 /pmc/articles/PMC3588954/ /pubmed/23476190 http://dx.doi.org/10.1107/S1600536812046193 Text en © Kate J. Akerman 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 Akerman, Kate J. (1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate |
title | (1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate |
title_full | (1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate |
title_fullStr | (1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate |
title_full_unstemmed | (1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate |
title_short | (1R*,2S*)-N,N′-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate |
title_sort | (1r*,2s*)-n,n′-bis[(e)-1h-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588954/ https://www.ncbi.nlm.nih.gov/pubmed/23476190 http://dx.doi.org/10.1107/S1600536812046193 |
work_keys_str_mv | AT akermankatej 1r2snnbise1hpyrrol2ylmethylidenecyclohexane12diaminemonohydrate |