Synthesis, Crystal Structure, Infrared spectroscopy and Hirshfeld Surface Analysis of a New Organic–Inorganic Hybrid Compound: Quinolinium Dihydrogenphosphate - Archive ouverte HAL Access content directly
Journal Articles Journal of Chemical Crystallography Year : 2016

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

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C. Ben Mleh
  • Function : Author
T. Roisnel
H. Marouani
  • Function : Author

Abstract

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 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 C2 2(6) motifs parallel to the a-axis. These chains are interconnected by the organic cations via R3 2(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.[Figure not available: see fulltext.] © 2016, Springer Science+Business Media New York.
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hal-01381121 , version 1 (14-10-2016)

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C. Ben Mleh, T. Roisnel, H. Marouani. Synthesis, Crystal Structure, Infrared spectroscopy and Hirshfeld Surface Analysis of a New Organic–Inorganic Hybrid Compound: Quinolinium Dihydrogenphosphate. Journal of Chemical Crystallography, 2016, 46 (8-9), pp.345--351. ⟨10.1007/s10870-016-0664-9⟩. ⟨hal-01381121⟩
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