Abstract
THE space group of anthraquinone crystals was found previously1 to be Pmmn. The estimates of intensities of reflections from a large number of planes published have been utilized for the determination of atomic parameters. The best agreement has been found with the following orientations of the anthraquinone molecules. One molecule is placed with its centre having the parameters x/a = 0.25, y/b = 0.142 and z/c = 0.056. Starting with the molecule placed with its plane parallel to the ab face, the correct position is obtained by rotating it by 1° about the z-axis, by 9° about the y-axis and by 30° about the x-axis. The two oxygen atoms are inclined to the carbon skeleton on the two sides but unsymmetrically. The positions and orientations of the other seven molecules in the unit cell are obtained from the equivalent positions corresponding to the space group Pmmn. The carbon skeleton has a plane structure with true hexagons and C—C distance the same as that in anthracene2. This is in very striking contrast to benzoquinone, in which the benzene ring is found to be deformed3. The complete details of the parameters and the comparison between the calculated and estimated intensities will be published elsewhere.
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Banerjee, K., and Guha, B. C., Ind. J. Phys., 9, 287 (1934).
Banerjee, K., Ind. J. Phys., 4, 541 (1930). Robertson, J. M., Proc. Roy. Soc., A, 140, 79 (1933).
Robertson, J. M., Proc. Roy. Soc., A, 150, 106 (1935).
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GUHA, B. Determination of the Atomic Parameters in Anthraquinone Crystals. Nature 139, 969 (1937). https://doi.org/10.1038/139969a0
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DOI: https://doi.org/10.1038/139969a0
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