Experimental electron density study of the supramolecular aggregation between 4,4′-dipyridyl-N,N′-dioxide and 1,4-diiodotetrafluorobenzene at 90 K
Тип публикации: Journal Article
Дата публикации: 2004-09-15
SJR: —
CiteScore: —
Impact factor: —
ISSN: 01087681, 16005740
PubMed ID:
15367791
General Biochemistry, Genetics and Molecular Biology
General Medicine
Краткое описание
The electron density of the halogen-bonded complex of 4,4′-dipyridyl-N,N′-dioxide (bpNO) with 1,4-diiodotetrafluorobenzene (F4dIb) at 90 K has been determined by X-ray diffraction and analysed. The nature of the I...O intermolecular bond connecting the bpNO and F4dIb molecules into one-dimensional infinite chains, as well as the other non-covalent interactions present in the crystal, such as C—H...O, C—H...F and C—H...I hydrogen bonds and C...C, C...N, C...I and F...F interactions, have been investigated. The integration of electron density over the atomic basins reveals the electrostatic nature of the I...O halogen bond, which is very similar to a previously analysed I...N halogen bond.
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Bianchi R., Forni A., Pilati T. Experimental electron density study of the supramolecular aggregation between 4,4′-dipyridyl-N,N′-dioxide and 1,4-diiodotetrafluorobenzene at 90 K // Acta Crystallographica Section B Structural Science. 2004. Vol. 60. No. 5. pp. 559-568.
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Bianchi R., Forni A., Pilati T. Experimental electron density study of the supramolecular aggregation between 4,4′-dipyridyl-N,N′-dioxide and 1,4-diiodotetrafluorobenzene at 90 K // Acta Crystallographica Section B Structural Science. 2004. Vol. 60. No. 5. pp. 559-568.
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TY - JOUR
DO - 10.1107/S0108768104014557
UR - https://doi.org/10.1107/S0108768104014557
TI - Experimental electron density study of the supramolecular aggregation between 4,4′-dipyridyl-N,N′-dioxide and 1,4-diiodotetrafluorobenzene at 90 K
T2 - Acta Crystallographica Section B Structural Science
AU - Bianchi, Riccardo
AU - Forni, Alessandra
AU - Pilati, Tullio
PY - 2004
DA - 2004/09/15
PB - International Union of Crystallography (IUCr)
SP - 559-568
IS - 5
VL - 60
PMID - 15367791
SN - 0108-7681
SN - 1600-5740
ER -
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@article{2004_Bianchi,
author = {Riccardo Bianchi and Alessandra Forni and Tullio Pilati},
title = {Experimental electron density study of the supramolecular aggregation between 4,4′-dipyridyl-N,N′-dioxide and 1,4-diiodotetrafluorobenzene at 90 K},
journal = {Acta Crystallographica Section B Structural Science},
year = {2004},
volume = {60},
publisher = {International Union of Crystallography (IUCr)},
month = {sep},
url = {https://doi.org/10.1107/S0108768104014557},
number = {5},
pages = {559--568},
doi = {10.1107/S0108768104014557}
}
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Bianchi, Riccardo, et al. “Experimental electron density study of the supramolecular aggregation between 4,4′-dipyridyl-N,N′-dioxide and 1,4-diiodotetrafluorobenzene at 90 K.” Acta Crystallographica Section B Structural Science, vol. 60, no. 5, Sep. 2004, pp. 559-568. https://doi.org/10.1107/S0108768104014557.