(1RS,2SR,3RS,5SR)-2-benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol at 120 K: complex sheets built from C-H...O and C-H...N hydrogen bonds.
At 120 K, the title compound [systematic name: (2RS,3SR,4RS,6SR)-3-benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile], C(33)H(26)N(2)O(2), has unit-cell dimensions apparently different from those reported at 294 K [Rong, Li, Yang, Wang & Shi (2006). Acta Cryst. E62, o1766-o1767]. The molecules are linked by two C-H...O hydrogen bonds and three C-H...N hydrogen bonds into complex sheets, and the hydrogen-bonded structures at the two temperatures are the same, although incorrectly described in the earlier report. The significance of the present study lies in its correct description of the hydrogen bonding and in its analysis of the unit-cell dimensions; the differences between the cell angles at 120 and 294 K arise from the fact that one such angle in the triclinic cell is extremely close to 90 degrees so that a very small change in this angle can induce significant changes in the reduced cell.
Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
Ricuarte
R
Rodríguez
Manuel
M
Nogueras
John N
JN
Low
Justo
J
Cobo
Christopher
C
Glidewell
D002244:Carbon / Q000737:chemistry; D018360:Crystallography, X-Ray; D003511:Cyclohexanols / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D015394:Molecular Structure; D009570:Nitriles / Q000737:chemistry*; D010100:Oxygen / Q000737:chemistry; D013237:Stereoisomerism; D013696:Temperature
D003511:Cyclohexanols; D009570:Nitriles; D002244:Carbon; D006859:Hydrogen; D010100:Oxygen