DOI: 10.18150/swdntw
title: Single-crystal X-ray diffraction datasets for the 'beta' polymorph of 1,3-diacetylpyrene

description: The crystals of the title compound were investigated by means of single-crystal X-ray diffraction at a number of different temperatures. Experiments were conducted in two overlapping series: the LT series covering range 110 - 230K (measurements every 10K) and the HT series covering range 190 - 350K (measurements every 20K)The dataset contains 22 zip files:01_110_LT.zip : raw diffraction data collected at 110K and the CrysAlisPro processed files for the 1,3-diacetylpyrene02_120_LT.zip : raw diffraction data collected at 120K and the CrysAlisPro processed files for the 1,3-diacetylpyrene03_130_LT.zip : raw diffraction data collected at 130K and the CrysAlisPro processed files for the 1,3-diacetylpyrene04_140_LT.zip : raw diffraction data collected at 140K and the CrysAlisPro processed files for the 1,3-diacetylpyrene05_150_LT.zip : raw diffraction data collected at 150K and the CrysAlisPro processed files for the 1,3-diacetylpyrene06_160_LT.zip : raw diffraction data collected at 160K and the CrysAlisPro processed files for the 1,3-diacetylpyrene07_170_LT.zip : raw diffraction data collected at 170K and the CrysAlisPro processed files for the 1,3-diacetylpyrene08_180_LT.zip : raw diffraction data collected at 180K and the CrysAlisPro processed files for the 1,3-diacetylpyrene09_190_LT.zip : raw diffraction data collected at 190K and the CrysAlisPro processed files for the 1,3-diacetylpyrene10_200_LT.zip : raw diffraction data collected at 200K and the CrysAlisPro processed files for the 1,3-diacetylpyrene11_210_LT.zip : raw diffraction data collected at 210K and the CrysAlisPro processed files for the 1,3-diacetylpyrene12_220_LT.zip : raw diffraction data collected at 220K and the CrysAlisPro processed files for the 1,3-diacetylpyrene13_230_LT.zip : raw diffraction data collected at 230K and the CrysAlisPro processed files for the 1,3-diacetylpyrene1_190_HT.zip : raw diffraction data collected at 190K and the CrysAlisPro processed files for the 1,3-diacetylpyrene2_210_HT.zip : raw diffraction data collected at 210K and the CrysAlisPro processed files for the 1,3-diacetylpyrene3_230_HT.zip: raw diffraction data collected at 230K and the CrysAlisPro processed files for the 1,3-diacetylpyrene4_250_HT.zip : raw diffraction data collected at 250K and the CrysAlisPro processed files for the 1,3-diacetylpyrene5_270_HT.zip : raw diffraction data collected at 270K and the CrysAlisPro processed files for the 1,3-diacetylpyrene6_290_HT.zip : raw diffraction data collected at 290K and the CrysAlisPro processed files for the 1,3-diacetylpyrene7_310_HT.zip : raw diffraction data collected at 310K and the CrysAlisPro processed files for the 1,3-diacetylpyrene8_330_HT.zip : raw diffraction data collected at 330K and the CrysAlisPro processed files for the 1,3-diacetylpyrene9_350_HT.zip : raw diffraction data collected at 350K and the CrysAlisPro processed files for the 1,3-diacetylpyrene##CrystallizationA single crystal (&lt; 0.5mg) of pure 1,3-di-acetylpyrene in its "alpha" form was slowly bought to melt on a hot stage at 200C and then rapidly cooled down to room temperature. This resulted in an aggregate of a few single crystal domains of the new, "beta" polymorph, from which a single domain was cut out.##Data collectionThe data were collected using Rigaku Oxford Diffraction SuperNova four-circle diffractometer equipped with a micro-focus sealed tube and a hybrid pixel (HyPix) detector. The temperature was controlled by Oxford Cryosystems low-temperature nitrogen gas-flow device.##Preliminary data processing.The determination of unit cell, data reduction and absorption correction were performed in software provided with the diffractometer - using CrysAlis PRO Version 1.171.39.43d.