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Crystal structure of 2-di­methyl­amino-1-eth­oxy­carbonyl-3-methyl-3,4,5,6-tetra­hydro­pyrimidin-1-ium tetra­phenyl­borate

The asymmetric unit of the title salt, C(10)H(20)N(3)O(2) (+)·C(24)H(20)B(−), contains two cations and two tetra­phenyl­borate ions. The C—N bond lengths in the central CN(3) unit of the guanidinium ions range between 1.323 (2) and 1.381 (2) Å, indicating partial double-bond character. The central C...

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Detalles Bibliográficos
Autores principales: Tiritiris, Ioannis, Kantlehner, Willi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645042/
https://www.ncbi.nlm.nih.gov/pubmed/26594585
http://dx.doi.org/10.1107/S2056989015020034
Descripción
Sumario:The asymmetric unit of the title salt, C(10)H(20)N(3)O(2) (+)·C(24)H(20)B(−), contains two cations and two tetra­phenyl­borate ions. The C—N bond lengths in the central CN(3) unit of the guanidinium ions range between 1.323 (2) and 1.381 (2) Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN(3) plane. The cationic six-membered rings are nonplanar, the dihedral angles between the N/C/N and C/C/C planes ranging from 45.8 (1) to 53.6 (1)°. In the crystal, C—H⋯π inter­actions are present between the guanidinium H atoms and the phenyl rings of the tetra­phenyl­borate ions. The phenyl rings form aromatic pockets, in which the guanidinium ions are embedded.