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Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene

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Abstract

The crystal structure of the title compound C22H30N4O2·H2O (L), has been determined using X-ray diffraction at 293 K. The crystal of 1,2-bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene is in triclinic crystal system with space group P(−1) (Z = 2), lattice parameters a = 8.225(6) Å, b = 10.967(6) Å, c = 12.903(6) Å, V = 1119.1(11) Å3. Analyses of single crystals of L, crystallized from dichloromethane/diethyl ether (1:1), revealed that the molecules are arranged in couples, which adopt a pseudo chair conformation, by means of intermolecular O–H···N hydrogen bonding interactions. Moreover, the extended structure revealed a 1D chain caused by several C–H···N intermolecular interactions.

Index Abstract

The crystal of a N,O-hybrid pyrazolic ligand has been determined. Analyses of single crystals revealed that the molecules in the crystal pack are arranged in couples, due to intermolecular O–H···N and C–H···N interactions.

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Acknowledgments

This work has been financially supported by the Spanish Ministry of Culture and Education (Project CTQ2007-63913) and by Generalitat de Catalunya (a grant to M. G.).

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Authors and Affiliations

  1. Departament de Química, Unitat de Química Inorgànica, Facultat de Ciències, Universitat Autònoma de Barcelona, Bellaterra-Cerdanyola, 08193, Barcelona, Spain

    Miguel Guerrero, Josefina Pons & Josep Ros

  2. Cristal lografia, Mineralogia i Dipòsits Minerals, Universitat de Barcelona, Martí i Franquès s/n, 08028, Barcelona, Spain

    Mercè Font-Bardia & Teresa Calvet

Authors
  1. Miguel Guerrero
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  2. Josefina Pons
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  3. Mercè Font-Bardia
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  4. Teresa Calvet
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  5. Josep Ros
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Correspondence to Josefina Pons.

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Guerrero, M., Pons, J., Font-Bardia, M. et al. Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene. J Chem Crystallogr 41, 721–726 (2011). https://doi.org/10.1007/s10870-010-9960-y

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