Cargando…

(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...

Descripción completa

Detalles Bibliográficos
Autor principal: Akerman, Kate J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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
_version_ 1782261664299614208
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