TY - JOUR
T1 - (1RS,2SR,3RS,5SR)-2-Benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol at 120 K: complex sheets built from C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds
AU - Rodriguez, Ricuarte
AU - Nogueras, Manuel
AU - Low, John N.
AU - Cobo, Justo
AU - Glidewell, Christopher
PY - 2008/10
Y1 - 2008/10
N2 - At 120 K, the title compound [systematic name: (2RS, 3SR,4RS,6SR)-3-benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile], C33H26N2O2, 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 center dot center dot center dot O hydrogen bonds and three C - H center dot center dot center dot 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.
AB - At 120 K, the title compound [systematic name: (2RS, 3SR,4RS,6SR)-3-benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile], C33H26N2O2, 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 center dot center dot center dot O hydrogen bonds and three C - H center dot center dot center dot 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.
KW - CHALCONE
U2 - 10.1107/S0108270108030515
DO - 10.1107/S0108270108030515
M3 - Article
SN - 1600-5759
VL - 64
JO - Acta Crystallographica Section C-Crystal Structure Communications
JF - Acta Crystallographica Section C-Crystal Structure Communications
ER -