(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. 2008

Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.

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.

UI MeSH Term Description Entries
D009570 Nitriles Organic compounds containing the -CN radical. The concept is distinguished from CYANIDES, which denotes inorganic salts of HYDROGEN CYANIDE. Nitrile
D010100 Oxygen An element with atomic symbol O, atomic number 8, and atomic weight [15.99903; 15.99977]. It is the most abundant element on earth and essential for respiration. Dioxygen,Oxygen-16,Oxygen 16
D002244 Carbon A nonmetallic element with atomic symbol C, atomic number 6, and atomic weight [12.0096; 12.0116]. It may occur as several different allotropes including DIAMOND; CHARCOAL; and GRAPHITE; and as SOOT from incompletely burned fuel. Carbon-12,Vitreous Carbon,Carbon 12,Carbon, Vitreous
D003511 Cyclohexanols Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers. Cyclohexanol
D006859 Hydrogen The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas. Protium,Hydrogen-1
D006860 Hydrogen Bonding A low-energy attractive force between hydrogen and another element. It plays a major role in determining the properties of water, proteins, and other compounds. Hydrogen Bonds,Bond, Hydrogen,Hydrogen Bond
D013237 Stereoisomerism The phenomenon whereby compounds whose molecules have the same number and kind of atoms and the same atomic arrangement, but differ in their spatial relationships. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed) Molecular Stereochemistry,Stereoisomers,Stereochemistry, Molecular,Stereoisomer
D013696 Temperature The property of objects that determines the direction of heat flow when they are placed in direct thermal contact. The temperature is the energy of microscopic motions (vibrational and translational) of the particles of atoms. Temperatures
D015394 Molecular Structure The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds. Structure, Molecular,Molecular Structures,Structures, Molecular
D018360 Crystallography, X-Ray The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) X-Ray Crystallography,Crystallography, X Ray,Crystallography, Xray,X Ray Crystallography,Xray Crystallography,Crystallographies, X Ray,X Ray Crystallographies

Related Publications

Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
January 2007, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
April 2010, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
September 2005, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
March 2006, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
October 2010, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
December 2004, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
June 2006, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
April 2006, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
June 2001, Acta crystallographica. Section C, Crystal structure communications,
Ricuarte Rodríguez, and Manuel Nogueras, and John N Low, and Justo Cobo, and Christopher Glidewell
February 2005, Acta crystallographica. Section C, Crystal structure communications,
Copied contents to your clipboard!