1,2,3,4,5,6,7,8-Octahydroanthracene-9,10- dicarbonitrile at 172, 216, 256, and 297 K |
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| Authors: | Doyle Britton Saliya A deSilva Paul G Gassman |
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| Institution: | (1) Department of Chemistry, University of Minnesota, Minneapolis, Minnesota, 55455-0431;(2) Department of Chemistry and Biochemistry, Montclair State University, Upper Montclair, New Jersey, 07043 |
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| Abstract: | Octahydroanthracenedicarbonitrile is monoclinic, space group P21/c, at 172 K, a = 4.723(7), b = 8.254(3), c = 16.190(7) Å,  = 91.76(8)°, Z = 2, V = 630.8(12) Å3. The molecule, located on a center of symmetry, is disordered between the two senses of puckering in the aliphatic ring. The structure was also determined at 216, 256, and 297 K. The disorder increases with increasing temperature and can be described by a van't Hoff relationship with  H = 5.2(3) kJ mol–1 and S = 13.8(12) J K–1 mol–1. |
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| Keywords: | 1 2 3 4 5 6 7 8-octahydroanthracene-9 10-dicarbonitrile disorder enthalpy and entropy of disorder packing effects |
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