The crystals structure of a hemi-dewar-naphthalene

✍ Scribed by Richard W. Franck; Robert Gruska; John G. White

• Publisher: Elsevier Science
• Year: 1977
• Tongue: French
• Weight: 200 KB
• Volume: 18
• Category: Article
• ISSN: 0040-4039
• DOI: 10.1016/s0040-4039(01)92680-2

✦ Synopsis

Dewar benzenes have been subjected to detailed structural analysis using electron diffraction, 1 microwave spectroscopy, 2 Raman spectroscopy,3 photoelectron spectro-4 5 scopy, and theoretical calculation. The only X-ray analysis of a Dewar benzene has been performed on a chromium tetracarbonyl complex.6 We wish to report our results of the first direct determination of the X-ray structure of a Dwwar molecule, using 1,3,6,8-tetra-t-butyl Hemi-Dewar naphthalene previously synthesized in our laboratories.' The crystals were triclinic with the dimensions ~~6.301 (l), b=9.934 (2), c=l9.995 (4) g, a=98.17 (2), 8=95.49 (2), y=105.34 (2)'. The unit cell contains two molecules and, as a result of the X-ray analysis, the space group was established as Pi. Three dimensional X-ray diffraction data was collected on two crystals using an Enraf-Nonius CAD-4 diffractometer with CuK a radiation. A slow decomposition of the crystal limited the quality of the data obtained; 3045 reflections were measured significantly above background.