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

Doyle Britton, Saliya Desilva, Paul G. Gassman

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)949-953
Number of pages5
JournalJournal of Chemical Crystallography
Volume29
Issue number8
DOIs
StatePublished - 1 Jan 1999

Fingerprint

trucks
disorders
Molecules
rings
symmetry
molecules
Temperature
temperature

Keywords

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

Cite this

@article{20e9a4f3cd134f758ff64b0a6542bc7c,
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 Saliya Desilva and Gassman, {Paul G.}",
year = "1999",
month = "1",
day = "1",
doi = "10.1023/A:1009586330730",
language = "English",
volume = "29",
pages = "949--953",
journal = "Journal of Chemical Crystallography",
issn = "1074-1542",
publisher = "Springer New York",
number = "8",

}

1,2,3,4,5,6,7,8-Octahydroanthracene-9,10-dicarbonitrile at 172, 216, 256, and 297 K. / Britton, Doyle; Desilva, Saliya; Gassman, Paul G.

In: Journal of Chemical Crystallography, Vol. 29, No. 8, 01.01.1999, p. 949-953.

Research output: Contribution to journalArticle

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

AU - Gassman, Paul G.

PY - 1999/1/1

Y1 - 1999/1/1

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

VL - 29

SP - 949

EP - 953

JO - Journal of Chemical Crystallography

JF - Journal of Chemical Crystallography

SN - 1074-1542

IS - 8

ER -