Cargando…
Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoethyl]pyridin-4-iminium bromide
In the cation of the title salt, C(17)H(23)N(2)O(+)·Br(−), the adamantyl moiety and the pyridiniminium ring are inclined to the ketone bridge by torsion angles of −78.1 (2) (C—C—C=O) and 58.3 (2)° (C—C—N—C), respectively, and the ketone bridge has a C—C—C—N torsion angle of 174.80 (15)°. In the crys...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038631/ https://www.ncbi.nlm.nih.gov/pubmed/30002910 http://dx.doi.org/10.1107/S2056989018009131 |
Sumario: | In the cation of the title salt, C(17)H(23)N(2)O(+)·Br(−), the adamantyl moiety and the pyridiniminium ring are inclined to the ketone bridge by torsion angles of −78.1 (2) (C—C—C=O) and 58.3 (2)° (C—C—N—C), respectively, and the ketone bridge has a C—C—C—N torsion angle of 174.80 (15)°. In the crystal, the cations are connected into chains parallel to the c axis by C—H⋯O hydrogen bonds. The chains are further linked into layers parallel to the bc plane by N—H⋯Br and C—H⋯Br hydrogen bonds, C—H⋯π interactions and π–π stacking interactions [centroid-to-centroid distance = 3.5657 (11) Å]. A Hirshfeld surface analysis, which comprises the d (norm) surface, electrostatic potential map and two-dimensional fingerprint plots, was carried out to verify the contribution of the various intermolecular interactions. |
---|