Crystal engineering with novel antipyrine derivatives: Insights from X-ray diffraction, Hirshfeld surface analysis, and DFT calculations on intermolecular interactions

Crystal engineering with novel antipyrine derivatives: Insights from X-ray diffraction, Hirshfeld surface analysis, and DFT calculations on intermolecular interactions

In this study, we report the synthesis, structural characterization by X-ray diffraction, vibrational (Infrared and Raman) investigation, Hirshfeld surface analysis, and DFT calculations of three new antipyrine derivatives (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl) bearing amide group...

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Bibliographic Details
Published in:Journal of Molecular Structure
Main Author: Rocha M.; Saeed A.; Gil D.M.; Echeverría G.A.; Piro O.E.; Khurshid A.; Arshad M.; Shah S.A.A.; Erben M.F.
Format: Article
Language:English
Published: Elsevier B.V. 2025
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85200149601&doi=10.1016%2fj.molstruc.2024.139450&partnerID=40&md5=5ad0d2fc1bdcf6b426b8ad8a03055f12

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https://www.scopus.com/inward/record.uri?eid=2-s2.0-85200149601&doi=10.1016%2fj.molstruc.2024.139450&partnerID=40&md5=5ad0d2fc1bdcf6b426b8ad8a03055f12

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