Skip to Main content Skip to Navigation
Journal articles

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

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.
Document type :
Journal articles
Complete list of metadatas

https://hal-univ-rennes1.archives-ouvertes.fr/hal-01381121
Contributor : Laurent Jonchère <>
Submitted on : Friday, October 14, 2016 - 9:18:17 AM
Last modification on : Thursday, March 5, 2020 - 2:02:52 PM

Identifiers

Citation

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, Springer Verlag, 2016, 46 (8-9), pp.345--351. ⟨10.1007/s10870-016-0664-9⟩. ⟨hal-01381121⟩

Share

Metrics

Record views

117