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Synthesis, Crystal Structure, Infrared spectroscopy and Hirshfeld Surface Analysis of a New Organic–Inorganic Hybrid Compound: Quinolinium Dihydrogenphosphate

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Abstract

The crystal structure of a new organic–inorganic hybrid compound [C9H8N](H2PO4), was determined. The new quinolinium dihydrogenphosphate has been synthesized and single crystals were grown from aqueous solution by slow evaporation technique. Single crystal X-ray diffraction study on grown crystal reveals that they belong to triclinic crystal system with space group P \(\bar{1}\). The unit cell dimensions are: a = 7.5866(9) Å, b = 8.0105(9) Å, c = 8.7048(9) Å, α = 77.379(4)°, β = 82.520(4)°, γ = 74.867(5)° with V = 496.82(10) Å3 and Z = 2. The structure has been solved using a direct method and refined to a reliability R factor of 0.032. The structure is built up from anionic C 22 (6) motifs parallel to the a-axis. These chains are interconnected by the organic cations via R 23 (8) motif hydrogen bonds so as to build a three dimensional network. FT-IR spectrum confirms the presence of the functional groups in the synthesized material. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint maps reveal that the structure is dominated by H···O/O···H and H···H contacts. The strongest hydrogen-bonding interactions are linked with O–H···O and N–H···O consisting the highest fraction of 40 % followed by these of the H···H type contributing 35.1 %. Other close contacts are present, counting C–H/H···C, C···C and C···N/N···C contacts.

Graphical Abstract

Organic-inorganic hybrid monophosphate was synthesized at room temperature. The crystal packing is stabilized by hydrogen bonds and π–π stacking interactions, also proved by Hirshfeld surface analysis.

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Acknowledgments

This work was supported by the Tunisian Ministry of Higher Education Scientific Research.

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Authors and Affiliations

  1. Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Université du Carthage, 7021 Zarzouna, Bizerte, Tunisia

    C. Ben Mleh & H. Marouani

  2. Unité Sciences Chimiques de Rennes, Centre de Diffractométrie X, UMR 6226 CNRS, Université de Rennes I, 263 Avenue du Général Leclerc, 35042, Rennes, France

    T. Roisnel

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  1. C. Ben Mleh
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  2. T. Roisnel
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  3. H. Marouani
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Correspondence to H. Marouani.

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Ben Mleh, C., Roisnel, T. & Marouani, H. Synthesis, Crystal Structure, Infrared spectroscopy and Hirshfeld Surface Analysis of a New Organic–Inorganic Hybrid Compound: Quinolinium Dihydrogenphosphate. J Chem Crystallogr 46, 345–351 (2016). https://doi.org/10.1007/s10870-016-0664-9

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  • DOI: https://doi.org/10.1007/s10870-016-0664-9

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