The Structure and Properties of 2,3-7,8-Dibenzpyrene-1,6-Quinone

• Published in: Crystallography reports Vol. 63; no. 7; pp. 1110 - 1115
• Main Authors: Zherebtsov, D. A., Nayfert, S. A., Polozov, M. A., Zhivulin, D. E., Zhivulin, V. E., Stash, A. I., Chen, Yu-Sheng, Merzlov, S. V, Bartashevich, E. V., Avdin, V. V., Hsu, Hua Shu, Guo, Feng Wei, Sakthidharan, C. P.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01-12-2018; Springer Nature B.V
• Subjects: Aromatic compounds; Carbonyls; Crystal structure; Crystallography and Scattering Methods; Crystals; Hydrogen atoms; Oxygen atoms; Physics; Physics and Astronomy; Single crystals; Spectra; Spectrum analysis; Structure of Organic Compounds; Thermal analysis; Unit cell; X ray photoelectron spectroscopy
• ISSN: 1063-7745; 1562-689X
• DOI: 10.1134/S1063774518070283

A technique for growing 2,3-7,8-dibenzpyrene-1,6-quinone single crystals is described. Its crystal structure, IR transmission spectra, reflection spectra in the visible spectral range, results of thermal analysis, and XPS spectroscopy data are reported for the first time. The crystalline structure of this compound is described within the sp. gr.
P
2
1
/
n
; its unit cell parameters are
a
= 17.4346(19) Å,
b
= 4.8717(5) Å,
c
 = 18.263(2) Å, and β = 105.857(2)°. The structure can be characterized as a herringbone stacking of flat molecules, between which weak О…H‒C interactions of carbonyl oxygen atoms and hydrogen atoms of aromatic rings exist.