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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 [(...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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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 |
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author | Pinalli, Roberta Massera, Chiara |
author_facet | Pinalli, Roberta Massera, Chiara |
author_sort | Pinalli, Roberta |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-5730227 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57302272017-12-15 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 Pinalli, Roberta Massera, Chiara Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2017-11-03 /pmc/articles/PMC5730227/ /pubmed/29250390 http://dx.doi.org/10.1107/S2056989017015857 Text en © Pinalli and Massera 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Pinalli, Roberta Massera, Chiara 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 |
title | 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 |
title_full | 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 |
title_fullStr | 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 |
title_full_unstemmed | 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 |
title_short | 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 |
title_sort | 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 |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730227/ https://www.ncbi.nlm.nih.gov/pubmed/29250390 http://dx.doi.org/10.1107/S2056989017015857 |
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