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Crystal structure of 3,14-diethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data

The crystal structure of the hydrated title salt, C(22)H(48)N(4) (4+)·4Cl(−)·4H(2)O (C(22)H(48)N(4) = H(4) L = 3,14-diethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]doco­sa­ne), has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has...

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Detalles Bibliográficos
Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869539/
https://www.ncbi.nlm.nih.gov/pubmed/33614157
http://dx.doi.org/10.1107/S2056989021001006
Descripción
Sumario:The crystal structure of the hydrated title salt, C(22)H(48)N(4) (4+)·4Cl(−)·4H(2)O (C(22)H(48)N(4) = H(4) L = 3,14-diethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]doco­sa­ne), has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water mol­ecules. The macrocyclic ring of the tetra­cation adopts an exodentate (3,4,3,4)-D conformation. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors, and the O atoms of the water mol­ecules and chloride anions as acceptors, giving rise to a three-dimensional network.