Author: J. Elguero

0000000001311583

AUTHOR

J. Elguero

The crystal structure of 3,5-diisopropyl-4-nitropyrazole from X-ray powder diffraction data

The crystal structure of 3,5-diisopropyl-4-nitropyrazole, 3c, has been determined by a Patterson Search method from laboratory X-ray powder diffraction data. The crystal data are: monoclinic symmetry with the unit-cell parameters aa 19:530O5U; ba 6:485O1U and ca 17:937O3U A; ba 100:32O1U8; space group I2/a ,C 9H15N3O2, Za 8, 293 K. After indexing the powder pattern by two methods, the unit-cell parameters found were refined by a least-squares technique. A whole pattern- fitting program was used to extract the integrated intensities. The structure was solved taking a related compound as a search model and the final Rietveld refinement converged to Rwpa 0.1971 and Rpa 0.1437. The structure pr…

research product

CCDC 739144: Experimental Crystal Structure Determination

Related Article: R.Ballesteros-Garrido, F.Blanco, R.Ballesteros, F.R.Leroux, B.Abarca, F.Colobert, I.Alkorta, J.Elguero|2009|Eur.J.Org.Chem.|2009|5765|doi:10.1002/ejoc.200900818

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CCDC 799870: Experimental Crystal Structure Determination

Related Article: R.Ballesteros-Garrido, L.Bonnafoux, F.Blanco, R.Ballesteros, F.R.Leroux, B.Abarca, F.Colobert, I.Alkorta, J.Elguero|2011|Dalton Trans.|40|1387|doi:10.1039/c0dt01183e

research product

CCDC 799868: Experimental Crystal Structure Determination

Related Article: R.Ballesteros-Garrido, L.Bonnafoux, F.Blanco, R.Ballesteros, F.R.Leroux, B.Abarca, F.Colobert, I.Alkorta, J.Elguero|2011|Dalton Trans.|40|1387|doi:10.1039/c0dt01183e

research product

CCDC 799866: Experimental Crystal Structure Determination

Related Article: R.Ballesteros-Garrido, L.Bonnafoux, F.Blanco, R.Ballesteros, F.R.Leroux, B.Abarca, F.Colobert, I.Alkorta, J.Elguero|2011|Dalton Trans.|40|1387|doi:10.1039/c0dt01183e

research product

CCDC 799869: Experimental Crystal Structure Determination

Related Article: R.Ballesteros-Garrido, L.Bonnafoux, F.Blanco, R.Ballesteros, F.R.Leroux, B.Abarca, F.Colobert, I.Alkorta, J.Elguero|2011|Dalton Trans.|40|1387|doi:10.1039/c0dt01183e

research product

CCDC 799867: Experimental Crystal Structure Determination

Related Article: R.Ballesteros-Garrido, L.Bonnafoux, F.Blanco, R.Ballesteros, F.R.Leroux, B.Abarca, F.Colobert, I.Alkorta, J.Elguero|2011|Dalton Trans.|40|1387|doi:10.1039/c0dt01183e

research product

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