1,2,3,4,5,6,7,8-Octahydroanthracene-9,10-dicarbonitrile at 172, 216, 256, and 297 K

Doyle Britton; Saliya A. DeSilva; Paul G. Gassman

doi:10.1023/A:1009586330730

1,2,3,4,5,6,7,8-Octahydroanthracene-9,10-dicarbonitrile at 172, 216, 256, and 297 K

Doyle Britton, Saliya A. DeSilva, Paul G. Gassman

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	949-953
Number of pages	5
Journal	Journal of Chemical Crystallography
Volume	29
Issue number	8
DOIs	https://doi.org/10.1023/A:1009586330730
State	Published - Aug 1999

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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10.1023/A:1009586330730

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title = "1,2,3,4,5,6,7,8-Octahydroanthracene-9,10-dicarbonitrile at 172, 216, 256, and 297 K",

abstract = "Octahydroanthracenedicarbonitrile is monoclinic, space group P21/c, at 172 K, a = 4.723(7), b = 8.254(3), c = 16.190(7) {\AA}, β = 91.76(8)o, Z = 2, V = 630.8(12) {\AA}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 ΔH = 5.2(3) kJ mol-1 and ΔS = 13.8(12) J K-1 mol-1.",

keywords = "1,2,3,4,5,6,7,8-octahydroanthracene-9,10-dicarbonitrile, Disorder, Enthalpy and entropy of disorder, Packing effects",

author = "Doyle Britton and DeSilva, \{Saliya A.\} and Gassman, \{Paul G.\}",

year = "1999",

month = aug,

doi = "10.1023/A:1009586330730",

language = "English",

volume = "29",

pages = "949--953",

journal = "Journal of Chemical Crystallography",

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publisher = "Springer",

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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 - https://www.scopus.com/pages/publications/0033177564

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 -

1,2,3,4,5,6,7,8-Octahydroanthracene-9,10-dicarbonitrile at 172, 216, 256, and 297 K

Abstract

Keywords

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