Journal Title
Title of Journal: J Chem Sci
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Abbravation: Journal of Chemical Sciences
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Authors: RIHAB DRIDI SAOUSSEN CHERNI MOHAMED FAOUZI ZID
Publish Date: 2015/10/22
Volume: 127, Issue: 8, Pages: 1427-1433
Abstract
A new hybrid salt C5H9N2CrC2O42H2O23H2O 35dimethylpyrazole Cis diaquadioxalatochromateIII trihydrate has been prepared by slow evaporation at room temperature and characterized by single crystal Xray diffraction IR UV–visible spectroscopies PXRD and thermogravimetric analyses Furthermore the observed crystal morphology was compared to the simulated one using the BravaisFriedel DonnayHarker model The structure of the title compound consists of CrC2O42H2O2 − mononuclear anions 35dimethylpyrazole 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–HO N–HO hydrogen bonds which connect ionic entities and water molecules and also by π– π stacking interactions between the rings of 35dimethylpyrazole cations Hence both coordinated and uncoordinated water molecules play an important role in the hydrogenbonding system and stabilize the structureFragments of the molecular structure of the complex show clearly the intermolecular N–HO and O–HO 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 networkCrystallographic 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 + 441223336033 emaildepositccdccamacuk or http//wwwccdccamacukHydrogenbonding 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 wwwiasacin/chemsci
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