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 (1,5dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl) bearing amide groups...
Published in: | JOURNAL OF MOLECULAR STRUCTURE |
---|---|
Main Authors: | Rocha, Mariana; Saeed, Aamer; Gil, Diego M.; Echeverria, Gustavo A.; Piro, Oscar E.; Khurshid, Asma; Arshad, Muhammad; Shah, Syed Adnan Ali; Erben, Mauricio Federico |
Format: | Article |
Language: | English |
Published: |
ELSEVIER
2025
|
Subjects: | |
Online Access: | https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001286713000001 |
Similar Items
-
Crystal engineering with novel antipyrine derivatives: Insights from X-ray diffraction, Hirshfeld surface analysis, and DFT calculations on intermolecular interactions
by: Rocha M.; Saeed A.; Gil D.M.; Echeverría G.A.; Piro O.E.; Khurshid A.; Arshad M.; Shah S.A.A.; Erben M.F.
Published: (2025) -
Synthesis, Crystal Structure, Anticancer Evaluation and Hirshfeld Surface Analysis of Novel Antipyrine Gathered Bis-Triazoles as Breast Adenocarcinoma Inhibitors
by: Beliyaiah L.; Anil Kumar G.N.; Tajuddin A.M.; Javarappa R.; Kumaraswamy M.; Basavaraju Y.B.
Published: (2024) -
H2-quartz and cushion gas-quartz intermolecular interactions: implications for hydrogen geo-storage in sandstone reservoirs
by: Sikiru, et al.
Published: (2024) -
H2-quartz and cushion gas-quartz intermolecular interactions: implications for hydrogen geo-storage in sandstone reservoirs
by: Sikiru S.; Al-Yaseri A.; Yekeen N.; Soleimani H.; N B.N.; Hamza M.F.; Ghotbi M.Y.
Published: (2024) -
A COMPREHENSIVE EXPLORATION THROUGH IG GAIN COEFFICIENT CALCULATION AND COSINE SIMILARITY CALCULATION: SYMBOLIC FEATURE ANALYSIS OF BIONICS FURNITURE DESIGN
by: Lin X.
Published: (2024)