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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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