Abstract
To reveal characteristic features of the arrangement of molecules in crystals of succinic and maleic anhydrides belonging to the structural class P212121, Z = 4(1), the energies of molecular interactions were calculated and the shortest intermolecular contacts were examined. The contacts between oxygen atoms and between oxygen and other atoms were analyzed to determine the optimum van der Waals radius of oxygen (R 0). The computations were performed using the CCA program designed for standard crystallochemical analysis. It was found that succinic and maleic anhydrides have analogous structures containing the same type of molecular agglomerates, which allowed us to relate these compounds to the same subclass. The present study confirmed the value R 0 = 1.29 Å recommended earlier by Zefirov and Zorky.
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Translated from Kristallografiya, Vol. 48, No. 4, 2003, pp. 588–593.
Original Russian Text Copyright © 2003 by Zorky, Obodovskaya, Panina.
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Zorky, P.M., Obodovskaya, A.E. & Panina, N.G. Crystallochemical analysis of succinic and maleic anhydrides. Crystallogr. Rep. 48, 536–541 (2003). https://doi.org/10.1134/1.1595174
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DOI: https://doi.org/10.1134/1.1595174