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Synthesis, Crystal structure and Characterization of a New Oxalate Chromium (III) Complex

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Abstract

A new hybrid salt (C5H9N2)[Cr(C2O4)2(H2O)2].3H2O, 3,5-dimethylpyrazole Cis diaquadioxalatochromate(III) trihydrate, has been prepared by slow evaporation at room temperature and characterized by single crystal X-ray diffraction, IR, UV–visible spectroscopies, PXRD and thermogravimetric analyses. Furthermore, the observed crystal morphology was compared to the simulated one using the Bravais-Friedel, Donnay-Harker model. The structure of the title compound consists of [Cr(C2O4)2(H2O)2] − mononuclear anions, 3,5-dimethylpyrazole cations and three uncoordinated water molecules. The Cr 3+ ion is six coordinated in a slightly distorted octahedral environment, by two O atoms from two water molecules and four O atoms of two oxalate anions acting as chelating ligands. The cohesion of the structure is established by intermolecular O–H...O, N–H...O hydrogen bonds which connect ionic entities and water molecules and also by π– π stacking interactions between the rings of 3,5-dimethylpyrazole cations. Hence, both coordinated and uncoordinated water molecules play an important role in the hydrogen-bonding system and stabilize the structure.

Fragments of the molecular structure of the complex show clearly the intermolecular N–H...O and O–H...O hydrogen bonds between the cation, the complex anion and the lattice water molecules which contribute to the cohesion of the ionic structure, leading to a three dimensional network.

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Authors and Affiliations

  1. Laboratoire de Matériaux et Cristallochimie, Département de Chimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092, Tunis, Tunisie

    RIHAB DRIDI, SAOUSSEN CHERNI & MOHAMED FAOUZI ZID

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  1. RIHAB DRIDI
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  2. SAOUSSEN CHERNI
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  3. MOHAMED FAOUZI ZID
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Correspondence to RIHAB DRIDI.

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Supplementary Information

Crystallographic data and full lists of bond lengths and angles have been deposited with the Cambridge Crystallographic Data Centre, CCDC No. 1005075. Copies of this information may be obtained free of charge from The Director, CCDC, 12 Union Road, CAMBRIDGE, CB2 1EZ, UK (fax: + 44-1223-336-033; email:deposit@ccdc.cam.ac.uk or http://www.ccdc.cam.ac.uk).

Hydrogen-bonding geometry (table S1), estimated morphology with BFDH model (a), and growth single crystal of the complex (b) (figure S1), infrared spectra of the complex (figure S2) and experimental and simulated PXRD of the complex (figure S3) are available at www.ias.ac.in/chemsci.

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DRIDI, R., CHERNI, S. & ZID, M.F. Synthesis, Crystal structure and Characterization of a New Oxalate Chromium (III) Complex. J Chem Sci 127, 1427–1433 (2015). https://doi.org/10.1007/s12039-015-0920-0

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  • DOI: https://doi.org/10.1007/s12039-015-0920-0

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