Cargando…
Nitrosonium complexation by the tetraphosphonate cavitand 5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-κ(2) O,O)resorcin(4)arene
The crystal structure of a new supramolecular complex between the tetraphosphonate cavitand 5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-κ(2) O,O′)resorcin(4)arene and the nitrosyl cation NO(+), as the BF(4) (−) salt, is reported. The complex, of general formula [(...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730227/ https://www.ncbi.nlm.nih.gov/pubmed/29250390 http://dx.doi.org/10.1107/S2056989017015857 |
Sumario: | The crystal structure of a new supramolecular complex between the tetraphosphonate cavitand 5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-κ(2) O,O′)resorcin(4)arene and the nitrosyl cation NO(+), as the BF(4) (−) salt, is reported. The complex, of general formula [(C(56)H(44)P(4)O(12))(NO)]BF(4)·CH(2)Cl(2) or NO@Tiiii[H, CH(3), C(6)H(5)] BF(4)·CH(2)Cl(2), crystallizes in the space group P-1. The nitrosyl cation is disordered over two equivalent positions, with occupancies of 0.503 (2) and 0.497 (2), and interacts with two adjacent P=O groups at the upper rim of the cavitand through dipole–charge interactions. In the lattice, the cavitands are connected through a series of C—H⋯π interactions involving the methyl and methylenic H atoms and the aromatic rings of the macrocycle. The structure is further stabilized by the presence of C—H⋯F interactions between the hydrogen atoms of the cavitands and the F atoms of the tetrafluoridoborate anion. As a result of the disorder, the lattice dichloromethane molecules could not be modelled in terms of atomic sites, and were treated using the PLATON SQUEEZE procedure [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The complexation process has also been studied in solution through NMR titrations. |
---|