Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses
Publication type: Journal Article
Publication date: 2025-02-12
scimago Q2
wos Q2
SJR: 0.520
CiteScore: 5.2
Impact factor: 2.6
ISSN: 14668033
Abstract
We report the crystal structure of the anhydrous form of pranoprofen, a valuable non-steroidal anti-inflammatory drug, solved by direct space methodologies from synchrotron X-ray powder diffraction data. Through a detailed joint experimental and computational study we have explored the complex interplay of aromatic and hydrogen-bonding interactions present in the molecular arrangement of pranoprofen in the solid state. Cooperativity and reinforcement of π-stacking and hydrogen bonding interactions govern the singular crystal packing of pranoprofen, suggesting potential binding mechanisms with biological targets.
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Prohens R. et al. Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses // CrystEngComm. 2025. Vol. 27. No. 12. pp. 1742-1748.
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Prohens R., Barbas R., Abrego G., Frontera A. Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses // CrystEngComm. 2025. Vol. 27. No. 12. pp. 1742-1748.
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TY - JOUR
DO - 10.1039/d4ce01279h
UR - https://xlink.rsc.org/?DOI=D4CE01279H
TI - Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses
T2 - CrystEngComm
AU - Prohens, Rafel
AU - Barbas, Rafael
AU - Abrego, Guadalupe
AU - Frontera, Antonio
PY - 2025
DA - 2025/02/12
PB - Royal Society of Chemistry (RSC)
SP - 1742-1748
IS - 12
VL - 27
SN - 1466-8033
ER -
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BibTex (up to 50 authors)
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@article{2025_Prohens,
author = {Rafel Prohens and Rafael Barbas and Guadalupe Abrego and Antonio Frontera},
title = {Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses},
journal = {CrystEngComm},
year = {2025},
volume = {27},
publisher = {Royal Society of Chemistry (RSC)},
month = {feb},
url = {https://xlink.rsc.org/?DOI=D4CE01279H},
number = {12},
pages = {1742--1748},
doi = {10.1039/d4ce01279h}
}
Cite this
MLA
Copy
Prohens, Rafel, et al. “Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses.” CrystEngComm, vol. 27, no. 12, Feb. 2025, pp. 1742-1748. https://xlink.rsc.org/?DOI=D4CE01279H.
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