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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Authors: | Miguel Guerrero Josefina Pons Mercè Font-Bardia Teresa Calvet and Josep Ros |
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Institution: | (1) Departament de Qu?mica, Unitat de Qu?mica Inorg?nica, Facultat de Ci?ncies, Universitat Aut?noma de Barcelona, Bellaterra-Cerdanyola, 08193 Barcelona, Spain;(2) Cristal lografia, Mineralogia i Dip?sits Minerals, Universitat de Barcelona, Mart? i Franqu?s s/n, 08028 Barcelona, Spain; |
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Abstract: | 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-bis4-(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)
?, b = 10.967(6) ?, c = 12.903(6) ?, V = 1119.1(11) ?3. 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. |
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