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A novel Cd(II) compound of flucytosine: synthesis, structure, and optical properties

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Abstract

Background

The study and development of fluorouracil metal complexes are important in the development of new synthetic methods and materials with applications in pharmaceuticals, agrochemicals, and materials science.

Mothodology

A new Cd(II) compound, (H-5FC) [(H-5FC) Cd Cl ] (1), (where H-5FC is HFlucytosine), was successfully synthesized and crystallized by slow evaporation at room temperature. The compound was characterized by single-crystal X-ray diffraction technique and UV–Visible spectroscopy.

Results

The structure shows that the compound constitutes of an independent protonated (H-5FC)+ cation and two protonated flucytosine molecules that coordinate to the Cd(II) ion via an oxygen atom to form a trinuclear [(H-5FC)2Cd3Cl10]2− anionic moieties. The independent protonated (H-5FC)+ bridges the [(H-5FC)2Cd3Cl10]2− anions via N/C–H···Cl/O hydrogen bonds. Supramolecular structure analysis of (1) with the aid of Hirshfeld calculations showed the importance of the H···Cl, O···H, C···Cl, and F···Cl interactions. Their percentages were calculated to be 42.2, 10.3, 6.6, and 8.7%, respectively. The band gap energy of the compound, deduced from the Tauc plot of the absorption spectrum, indicated a wide energy gap of 3.65 eV.

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Funding

The authors extend their appreciation to the Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia for funding this research through the project number IFP-IMSIU-2023114. The authors also appreciate the Deanship of Scientific Research at Imam Mohammad Ibn Saud Islamic University (IMSIU) for supporting and supervising this project.

Author information

Authors and Affiliations

  1. Chemistry Department, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), 11623, Riyadh, Saudi Arabia

    Hela Ferjani & N. S. Almotlaq

  2. Department of Chemistry, King Fahd University of Petroleum and Minerals, 31261, Dhahran, Saudi Arabia

    Mohammed Fettouhi

  3. Interdisciplinary Research, Center for Refining and Advanced Chemicals, King Fahd University of Petroleum & Minerals, 31261, Dhahran, Saudi Arabia

    Mohammed Fettouhi

  4. Materials Science Innovation and Modelling (MaSIM) Research Focus Area, Faculty of Natural and Agricultural Science, North-West University (Mafikeng Campus), Private Bag X2046, Mmabatho, 2735, South Africa

    Murendeni P. Ravele & Damian C. Onwudiwe

  5. Department of Chemistry, Faculty of Natural and Agricultural, Science, North-West University (Mafikeng Campus), Private Bag X2046, Mmabatho, 2735, South Africa

    Murendeni P. Ravele & Damian C. Onwudiwe

Authors
  1. Hela Ferjani
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  2. N. S. Almotlaq
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  3. Mohammed Fettouhi
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  4. Murendeni P. Ravele
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  5. Damian C. Onwudiwe
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Contributions

H.F. and D.C.DO. wrote the main manuscript text, M.F analyzed the structure by SCXRD and refined the structure, N.S. A and N.P. R prepared figures and data analysis. All authors reviewed the manuscript.

Corresponding author

Correspondence to Hela Ferjani.

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The authors declared that there is no conflict of interest.

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Supplementary Information

Below is the link to the electronic supplementary material.

11243_2023_562_MOESM1_ESM.docx

Supplementary file1 (DOCX 1859 KB): CCDC-2249554 contains the supplementary crystallographic data for this paper. This data can be obtained free of charge from the Cambridge Crystallographic Data Centre via http://www.ccdc.cam.ac.uk/data_request/cif. Additional figures and tables (Figures 1S to 5S and scheme 1; Tables 1S) pertaining to the structure and spectra are given in electronic supplementary information.

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Ferjani, H., Almotlaq, N.S., Fettouhi, M. et al. A novel Cd(II) compound of flucytosine: synthesis, structure, and optical properties. Transit Met Chem 49, 67–74 (2024). https://doi.org/10.1007/s11243-023-00562-7

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  • DOI: https://doi.org/10.1007/s11243-023-00562-7

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