首页> 外文期刊>Journal of chemical crystallography >1, 2, 3, 4, 5, 6, 7, 8-Octahydroanthracene-9, 10-dicarbonitrile at 172, 216, 256, and 297 K
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1, 2, 3, 4, 5, 6, 7, 8-Octahydroanthracene-9, 10-dicarbonitrile at 172, 216, 256, and 297 K

机译:1,2,3,4,5,6,7,8-八氢蒽-9,10-二腈在172,216,256和297 K

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摘要

Octahydroanthracenedicarbonitrile is monoclinic, space group P2_1/c, at 172 K, a = 4.723(7), b = 8.254(3), c = 16.190(7) A, #beta# = 91.76(8) deg, Z = 2, V = 630.8(12) A~3. 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 #DELTA#H = 5.2(3) kJ mol~(-1) and #DELTA#S = 13.8(12) J K~(-1) mol~(-1).
机译:八氢蒽二甲腈为单斜晶,空间群P2_1 / c,在172 K时,a = 4.723(7),b = 8.254(3),c = 16.190(7)A,#beta#= 91.76(8)度,Z = 2, V = 630.8(12)A〜3。位于对称中心的分子在脂族环的两种起皱感之间是无序的。还确定了该结构在216、256和297 K时的温度。无序度随温度的升高而增加,可以用范特霍夫关系描述,其中#DELTA#H = 5.2(3)kJ mol〜(-1)和# ΔS=​​ 13.8(12)JK·(-1)mol·(-1)。

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