TY - JOUR
T1 - 1,2,3,4,5,6,7,8-Octahydroanthracene-9,10-dicarbonitrile at 172, 216, 256, and 297 K
AU - Britton, Doyle
AU - DeSilva, Saliya A.
AU - Gassman, Paul G.
PY - 1999/8
Y1 - 1999/8
N2 - Octahydroanthracenedicarbonitrile is monoclinic, space group P21/c, at 172 K, a = 4.723(7), b = 8.254(3), c = 16.190(7) Å, β = 91.76(8)o, 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 ΔH = 5.2(3) kJ mol-1 and ΔS = 13.8(12) J K-1 mol-1.
AB - Octahydroanthracenedicarbonitrile is monoclinic, space group P21/c, at 172 K, a = 4.723(7), b = 8.254(3), c = 16.190(7) Å, β = 91.76(8)o, 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 ΔH = 5.2(3) kJ mol-1 and ΔS = 13.8(12) J K-1 mol-1.
KW - 1,2,3,4,5,6,7,8-octahydroanthracene-9,10-dicarbonitrile
KW - Disorder
KW - Enthalpy and entropy of disorder
KW - Packing effects
UR - http://www.scopus.com/inward/record.url?scp=0033177564&partnerID=8YFLogxK
U2 - 10.1023/A:1009586330730
DO - 10.1023/A:1009586330730
M3 - Article
AN - SCOPUS:0033177564
SN - 1074-1542
VL - 29
SP - 949
EP - 953
JO - Journal of Chemical Crystallography
JF - Journal of Chemical Crystallography
IS - 8
ER -