Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations

Author:

Saeed Aamer1234ORCID,Khurshid Asma1234,Flörke Ulrich56789,Echeverría Gustavo A.1011121314,Piro Oscar E.1011121314,Gil Diego M.1516171819ORCID,Rocha Mariana1520211819,Frontera Antonio22232425ORCID,El-Seedi Hesham R.2627282930ORCID,Mumtaz Amara13132334,Erben Mauricio F.3435113637ORCID

Affiliation:

1. Department of Chemistry

2. Quaid-I-Azam University

3. Islamabad

4. Pakistan

5. Department Chemie

6. Fakultät für Naturwissenschaften

7. Universität Paderborn

8. D-33098 Paderborn

9. Germany

10. Departamento de Física

11. Facultad de Ciencias Exactas

12. Universidad Nacional de La Plata e Instituto de Física La Plata

13. IFLP (UNLP, CONICET, CCT-La Plata)

14. 1900 La Plata

15. INBIOFAL (CONICET-UNT)

16. Instituto de Química Orgánica

17. Facultad de Bioquímica, Química y Farmacia

18. Universidad Nacional de Tucumán

19. San Miguel de Tucumán

20. Cátedra de Física

21. Facultad de Agronomía y Zootecnia

22. Departament de Química

23. Universitat de les Illes Balears

24. 07122 Palma de Mallorca (Baleares)

25. Spain

26. College of Food and Biological Engineering

27. Jiangsu University

28. Zhenjiang 212013

29. China

30. Al-Rayan Colleges

31. COMSATS University Islamabad

32. Abbottabad Campus

33. Abbottabad 22060

34. CEQUINOR (UNLP-CONICET, CCT-La Plata)

35. Departamento de Química

36. Universidad Nacional de La Plata

37. La Plata B1900

Abstract

Based on experimental and computational data, a complex network of intermolecular interactions has been rationalized for antipyrine compounds.

Funder

Consejo Nacional de Investigaciones Científicas y Técnicas

Universidad Nacional de La Plata

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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