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Structure of 2-[(Phenyl)-(3,5-Dimethyl-Pyrazol-1-yl)-Methyl]-Malonic Acid Diethyl Ester

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Abstract

The titled new functionalized ligand of type 2-[(phenyl)-(3,5-dimethyl-pyrazol-1-yl)-methyl]-malonic acid diethyl ester (4) is prepared in good yield through condensation of 3,5-dimethyl-pyrazole, with 2-arylidene-malonic acid diethyl esters 3. The structure of 4 was determined by spectral (IR, 1H and 13C NMR), elemental analyses and X-ray diffraction data. The title compound (4) crystallizes in the monoclinic space group P21/a, with a = 7.9253 (2), b = 17.1299 (5), c = 13.4522 (4) Å, β = 90.220 (2)°, V = 1,826.25 (9) Å3, Z = 4 and with R int = 0.021. The molecular conformation shows two possible pockets ready to coordinate two metal atoms. The crystal structure of (4) is stabilized by inter-molecular C–H⋯O and C–H⋯N hydrogen bonding.

Graphical Abstract

[Structure of 2-[(phenyl)-(3,5-dimethyl-pyrazol-1-yl)-methyl]-malonic acid diethyl ester. I. Meskini, L. Toupet,* M. Daoudi, A. Kerbal, M. Akkurt,* Z. H. Chohan and T. Ben Hadda* The molecular conformation shows two possible pockets ready to coordinate two metal atoms. The crystal structure of (4) is stabilized by inter-molecular C–H⋯O and C–H⋯N hydrogen bonding interactions] -->

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Acknowledgments

This work was supported by grant from Project Global de Recherché de l’Université Mohammed Premier/LCM (Morocco).

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Authors and Affiliations

  1. Institut de Physique—IPR—UMR CNRS 6251, Université de Rennes 1, Rennes, France

    L. Toupet

  2. Laboratoire de Chimie Organique, Université Sidi Mohammed Ben Abdellah, Fès, Morocco

    I. Meskini, M. Daoudi & A. Kerbal

  3. Department of Physics, F.A.S, Erciyes University, 38039, Kayseri, Turkey

    M. Akkurt

  4. Department of Chemistry, Bahauddin Zakariya University, Multan, Pakistan

    Z. H. Chohan

  5. Laboratoire de Chimie des Matériaux, Université Mohammed Premir, 60000, Oujda, Morocco

    T. Ben Hadda

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  1. I. Meskini
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  2. L. Toupet
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  3. M. Daoudi
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  4. A. Kerbal
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  5. M. Akkurt
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  6. Z. H. Chohan
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  7. T. Ben Hadda
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Corresponding authors

Correspondence to L. Toupet, M. Akkurt or T. Ben Hadda.

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Meskini, I., Toupet, L., Daoudi, M. et al. Structure of 2-[(Phenyl)-(3,5-Dimethyl-Pyrazol-1-yl)-Methyl]-Malonic Acid Diethyl Ester. J Chem Crystallogr 40, 812–815 (2010). https://doi.org/10.1007/s10870-010-9743-5

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  • DOI: https://doi.org/10.1007/s10870-010-9743-5

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