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Structural Topology of Weak Non-covalent Interactions in a Layered Supramolecular Coordination Solid of Zinc Involving 3-Aminopyridine and Benzoate: Experimental and Theoretical Studies

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Abstract

A new Zn(II) coordination solid based on benzoate (Bz) and 3-aminopyridine (3‒Apy) viz., [Zn(3‒Apy)2(Bz)2] (1) has been synthesized and its crystal structure has been determined by single crystal X-ray diffraction analysis. The compound is characterized by IR, UV-Vis-NIR, thermal and elemental analysis. X-ray powder diffraction technology has been performed for the complex to investigate whether the analyzed crystal structure is truly representative of the bulk materials. The new compound crystallizes in the triclinic, \(P\stackrel{-}{1}\) space group with unit cell dimensions: a = 10.0848(11) Å, b = 11.0351(11) Å, c = 11.4213(13) Å. V = 1139.1(2) and Z = 2. Intermolecular N‒H⋯O and π‒π contacts between Zn(II) monomeric units in the crystal structure results in a supramolecular polymeric chain. Further, the extended 1D chain is self assembled via weak intermolecular C‒H⋯O hydrogen bonding interaction to result layered network structure. The interactions have been characterized by analyzing the topology of electron density within the realm of quantum theory of atoms in molecules and non-covalent interaction index calculations.

Graphical Abstract

A new Zn(II) coordination solid based on 3-aminopyridine and benzoic acid, [Zn(3‒Apy)2(Bz)2] (1) has been successfully synthesized. Intermolecular N‒H⋯O and π‒π contacts between Zn(II) monomeric units in the crystal structure results in a supramolecular polymeric chain. The extended 1D chain is self assembled via intermolecular C‒H⋯O hydrogen bonding interaction to result layered network structure.

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Acknowledgements

The corresponding author (MKB) gratefully acknowledges financial support from the University Grants Commission (UGC), New Delhi [Grant No.: F. No. 42-377/2013]. The authors thank IIT, Guwahati for providing the single crystal X-ray diffraction and the Department of Chemistry, Gauhati University, Guwahati for TG data.

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Authors and Affiliations

  1. Department of Chemistry, Cotton University, Panbazar, Guwahati, Assam, 781001, India

    Debajit Dutta, S. Mohd. Nashre-ul-Islam, Utpal Saha, Sanjib Chetry, Ankur K. Guha & Manjit K. Bhattacharyya

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  1. Debajit Dutta
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  2. S. Mohd. Nashre-ul-Islam
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  3. Utpal Saha
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  5. Ankur K. Guha
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Correspondence to Manjit K. Bhattacharyya.

Electronic supplementary material

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Supplementary material 1 (PDF 159 KB)

10870_2018_723_MOESM2_ESM.tiff

Supplementary material 2 (TIFF 857 KB). Supramolecular 2D network generated by weak hydrogen bonding N‒H⋯O, C‒H⋯O and π‒π stacking interactions

Supplementary material 3 (TIF 43 KB). PXRD analysis of the complexes 1: bottom-simulated, top-experimental

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Dutta, D., Nashre-ul-Islam, S.M., Saha, U. et al. Structural Topology of Weak Non-covalent Interactions in a Layered Supramolecular Coordination Solid of Zinc Involving 3-Aminopyridine and Benzoate: Experimental and Theoretical Studies. J Chem Crystallogr 48, 156–163 (2018). https://doi.org/10.1007/s10870-018-0723-5

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