Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis

Author:

El-Emam Ali A.12345,Saveeth Kumar Elangovan678910,Janani Krishnakumar678910,Al-Wahaibi Lamya H.1112131415,Blacque Olivier11161718ORCID,El-Awady Mohamed I.192345ORCID,Al-Shaalan Nora H.1112131415ORCID,Percino M. Judith2021222324ORCID,Thamotharan Subbiah678910ORCID

Affiliation:

1. Department of Medicinal Chemistry

2. Faculty of Pharmacy

3. Mansoura University

4. Mansoura 35516

5. Egypt

6. Biomolecular Crystallography Laboratory

7. Department of Bioinformatics

8. School of Chemical and Biotechnology

9. SASTRA Deemed University

10. Thanjavur-613401

11. Department of Chemistry

12. College of Sciences

13. Princess Nourah bint Abdulrahman University

14. Riyadh 11671

15. Saudi Arabia

16. University of Zurich

17. 8057 Zurich

18. Switzerland

19. Department of Pharmaceutical Analytical Chemistry

20. Unidad de Polímeros y Electrónica Orgánica

21. Instituto de Ciencias

22. Benemérita Universidad Autónoma de Puebla

23. Val3-Ecocampus Valsequillo

24. Puebla-C.P. 72960

Abstract

The nature and strength of various noncovalent interactions in three adamantane derivatives are characterized using QTAIM approach.

Funder

Department of Science and Technology-Science and Engineering Research Board (DST-SERB), India

Princess Nourah bint Abdulrahman University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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