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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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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
Descripción
Sumario: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.