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Synthesis, Structure and Hirshfeld Surface Analysis of a New Iron Complex [Fe(N4Py)(tcnspr)] (tcnspr)

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Abstract

We report the synthesis, crystal structure and Hirshfeld surface analysis of Fe(II) complex based on a pentadentate N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-(bis-2-pyridylmethyl)amine) and polynitrile tcnspr (1,1,3,3-tetracyano-2-thiopropylpropenide) ligands, [Fe(N4Py)(tcnspr)](tcnspr) 1. The X-ray result, indicates that 1 is low-spin Fe(II) complex. The tcnspr coordinated molecule in the cation exhibits disorder over two sets of atomic sites having occupancies of 0.681 (6) and 0.319 (6) and the uncoordinated tcnspr anion is also disordered over two sets of atomic sites with occupancies 0.574 (7) and 0.426 (7). The crystal packing of 1 is established mainly by weak intermolecular C–H…N/S/C hydrogen bonds and stacking interactions involving the pyridine ring and/or the C–C≡N moieties. Hirshfeld surface analysis employing three-dimensional molecular surface contours and contacts enrichment ratio calculations were used to understand the intermolecular interactions present in the structure.

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Acknowledgements

FS gratefully acknowledges the Algerian Ministère de l'Enseignement Supérieur et de la Recherche Scientifique (MESRS), the Direction Générale de la Recherche Scientifique et du Développement Technologique (DGRSDT) as well as the Université Ferhat Abbas Sétif 1 for financial support.

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Authors and Affiliations

  1. Laboratoire de Chimie, Ingénierie Moléculaire Et Nanostructures (LCIMN), Université Ferhat Abbas, Sétif 1, 19000, Sétif, Algeria

    Zouaoui Setifi & Fatima Setifi

  2. Département de Technologie, Faculté de Technologie, Université 20 Août 1955-Skikda, 21000, Skikda, Algeria

    Zouaoui Setifi

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

    Hela Ferjani

  4. CRM2, CNRS, Institut Jean Barriol, Université de Lorraine, 54000, Nancy, France

    Christian Jelsch

  5. School of Chemistry, University of St Andrews, St Andrews, Fife, KY16 9ST, UK

    Christopher Glidewell

  6. Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139, Samsun, Turkey

    Necmi Dege

Authors
  1. Zouaoui Setifi
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  2. Hela Ferjani
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  3. Christian Jelsch
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  4. Christopher Glidewell
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  5. Necmi Dege
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  6. Fatima Setifi
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Contributions

Conceptualization: Zouaoui Setifi, Fatima Setifi; Methodology: Zouaoui Setifi, Hela Ferjani, Fatima Setifi; Formal analysis and investigation: Necmi Dege, Hela Ferjani; Writing—original draft preparation: Zouaoui Setifi, Ferjani Hela, Christian Jelsch; Writing—review and editing: Ferjani Hela, Christopher Glidewell.

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Correspondence to Hela Ferjani or Fatima Setifi.

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Setifi, Z., Ferjani, H., Jelsch, C. et al. Synthesis, Structure and Hirshfeld Surface Analysis of a New Iron Complex [Fe(N4Py)(tcnspr)] (tcnspr). J Inorg Organomet Polym 31, 3054–3061 (2021). https://doi.org/10.1007/s10904-021-01898-2

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  • DOI: https://doi.org/10.1007/s10904-021-01898-2

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