Literature DB >> 18838780

(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.

Ricuarte Rodríguez1, Manuel Nogueras, John N Low, Justo Cobo, Christopher Glidewell.   

Abstract

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.

Entities:  

Mesh:

Substances:

Year:  2008        PMID: 18838780     DOI: 10.1107/S0108270108030515

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  1 in total

1.  Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl-butan-2-yl)-2-hy-droxy-2-methyl-4-phenyl-cyclo-hexane-1,1-dicarbo-nitrile.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Ekaterina V Dobrokhotova; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-05-13
  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.