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Crystal structure of 3,14-diethyl-2,13-di­aza-6,17-diazo­niatri­cyclo­[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data

The crystal structure of title salt, C(22)H(46)N(4) (2+)·2NO(3) (−)·2H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication,...

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Detalles Bibliográficos
Autores principales: Moon, Dohyun, Jeon, Sunghwan, Ryoo, Keon Sang, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658972/
https://www.ncbi.nlm.nih.gov/pubmed/31391995
http://dx.doi.org/10.1107/S2056989019007655
Descripción
Sumario:The crystal structure of title salt, C(22)H(46)N(4) (2+)·2NO(3) (−)·2H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication, one nitrate anion and one water mol­ecule. The mol­ecular dication, C(22)H(46)N(4) (2+), together with the nitrate anion and hydrate water mol­ecule are involved in an extensive range of hydrogen bonds. The mol­ecule is stabilized, as is the conformation of the dication, by forming inter­molecular N—H⋯O, O—H⋯O, together with intra­molecular N—H⋯N hydrogen bonds.