Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions-Reference-Cited by-同舟云学术

Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions

Published:2023 Issue:48 Volume:25 Page:6710-6718
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Ahmed Muhammad Naeem¹^ORCID,Akhtar Maheen¹,Andleeb Hina²,Bashir Muhammad Adnan³^ORCID,Ibrahim Mahmoud A. A.⁴^ORCID,Sidhom Peter A.⁵^ORCID,Arshad Ifzan⁶^ORCID,Tahir Muhammad Nawaz⁷,Gil Diego M.⁸^ORCID,Gomila Rosa M.⁹^ORCID,Frontera Antonio⁹^ORCID

Affiliation:

1. Department of Chemistry, The University of Azad Jammu and Kashmir, Muzaffarabad 13100, Pakistan

2. Department of Pharmaceutical Sciences, Bouvé College of Health Sciences, Northeastern University, Boston, Massachusetts, 02115, USA

3. The State Key Laboratory of Chemical Oncogenomics, Guangdong Provincial Key Laboratory of Nano-Micro Materials Research, School of Chemical Biology and Biotechnology, Shenzhen Graduate School of Peking University, Shenzhen 518055, China

4. Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt

5. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, Egypt

6. Institute for Advanced Study, Shenzhen University, Shenzhen 518060, Guangdong, China

7. Department of Physics, University of Sargodha, Sargodha, Pakistan

8. INBIOFAL (CONICET – UNT), Instituto de Química Orgánica, Facultad de Bioquímica, Química y Farmacia, Universidad Nacional de Tucumán, Ayacucho 471, T4000INI, San Miguel de Tucumán, Argentina

9. Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain

Abstract

A detailed quantitative analysis of the weak noncovalent interactions in the X-ray structures of 1,3,4-oxadiazoles has been performed by using the DFT calculations.

Funder

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CE/D3CE00944K

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1. Microbial denitrogenation of fossil fuels

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3. Novel 1,3,4-oxadiazole thioether and sulfone derivatives bearing a flexible N-heterocyclic moiety: Synthesis, characterization, and anti-microorganism activity

4. Synthesis, structural studies and biological activities of three new 2-(pentadecylthio)-5-aryl-1,3,4-oxadiazoles

5. Synthesis, crystal structures, computational studies and α-amylase inhibition of three novel 1,3,4-oxadiazole derivatives