Crystal structure and dynamic NMR studies of octaacetyl-tetra(propyl)calix[4]resorcinarene
Astrid Velásquez Silva
1
,
Brian Cortés
1
,
Zuly J. Rivera
1
,
Adrián Pérez-Redondo
2
,
Mauricio Maldonado
1
Publication type: Journal Article
Publication date: 2017-06-01
scimago Q2
wos Q2
SJR: 0.628
CiteScore: 8.0
Impact factor: 4.7
ISSN: 00222860, 18728014
Organic Chemistry
Inorganic Chemistry
Spectroscopy
Analytical Chemistry
Abstract
The reaction between C -tetra(propyl)calix[4]resorcinarene ( 1 ) and acetic anhydride in pyridine results in the formation of octaacetyl-tetra(propyl)calix[4]resorcinarene ( 2 ). The structure was determined using FT-IR, 1 H-NMR and 13 C-NMR. The dynamic 1 H-NMR of acetylated resorcinarene was studied by means of variable temperature in a CDCl 3 solution and revealed that two conformers are formed in the solution. Boat conformations for acetylated resorcinarene exhibited a rapid interconversion at low temperatures, and the activation barrier for the pseudorotation was determined (54.72 kJmol-1). The acetylated resorcinarene 2 was also characterized by an X-ray crystal structure determination. This analysis indicated a boat configuration for the macrocycle skeleton in the solid state. C H⋯O hydrogen bonding interactions were observed in the packing of compound.
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Total citations:
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Citations from 2025:
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GOST
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Velásquez Silva A. et al. Crystal structure and dynamic NMR studies of octaacetyl-tetra(propyl)calix[4]resorcinarene // Journal of Molecular Structure. 2017. Vol. 1137. pp. 380-386.
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Velásquez Silva A., Cortés B., Rivera Z. J., Pérez-Redondo A., Maldonado M. Crystal structure and dynamic NMR studies of octaacetyl-tetra(propyl)calix[4]resorcinarene // Journal of Molecular Structure. 2017. Vol. 1137. pp. 380-386.
Cite this
RIS
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TY - JOUR
DO - 10.1016/j.molstruc.2017.02.059
UR - https://doi.org/10.1016/j.molstruc.2017.02.059
TI - Crystal structure and dynamic NMR studies of octaacetyl-tetra(propyl)calix[4]resorcinarene
T2 - Journal of Molecular Structure
AU - Velásquez Silva, Astrid
AU - Cortés, Brian
AU - Rivera, Zuly J.
AU - Pérez-Redondo, Adrián
AU - Maldonado, Mauricio
PY - 2017
DA - 2017/06/01
PB - Elsevier
SP - 380-386
VL - 1137
SN - 0022-2860
SN - 1872-8014
ER -
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@article{2017_Velásquez Silva,
author = {Astrid Velásquez Silva and Brian Cortés and Zuly J. Rivera and Adrián Pérez-Redondo and Mauricio Maldonado},
title = {Crystal structure and dynamic NMR studies of octaacetyl-tetra(propyl)calix[4]resorcinarene},
journal = {Journal of Molecular Structure},
year = {2017},
volume = {1137},
publisher = {Elsevier},
month = {jun},
url = {https://doi.org/10.1016/j.molstruc.2017.02.059},
pages = {380--386},
doi = {10.1016/j.molstruc.2017.02.059}
}