Structure of complex compounds of cobalt with acetylacetamide

Journal Article · Sat Nov 01 04:00:00 EST 1986 · Sov. J. Coordinat. Chem.; (United States)

OSTI ID:6476419

Khodashova, T S; Nikolaev, V P; Porai-Koshits, M A; Butman, L A; Tabidze, E I; Tsintsadze, G V

An x-ray diffraction investigation of two cobalt compounds with acetylacetamide, viz., (Co(NCS)/sub 2/(AAA)/sub 2/) (I) and (Co(H/sub 2/O)/sub 2/(AAA)/sub 2/)Cl/sub 2/ (II) (AAA = CH/sub 3/CO)/sub 2/NH), has been carried out (autodiffractometer, lambdaMo, graphite monochromator, 576 reflections for I and 1709 reflections for II, anisotropic least-squares method to R = 0.041 (I) and R = 0.040 (II)). The crystals of compounds I and II are orthorhombic. The unit-cell parameters for compound I are: a = 8.471, b = 12.027, c = 16.867 A, space group Ccmb. The unit-cell parameters for compound II are: a = 12.479, b = 9.486, c = 13.827 A, space group Pbca. The x-ray diffraction investigation of complex compounds I and II showed that the AAA molecules act as bidentate chelating ligands, which are bonded to the metal by means of the two carbonyl oxygen atoms. The coordination of cobalt atoms in both compounds is trans-octahedral. However, the ..pi..-acid ligands in compounds I and II perform different roles. In compound I the two isocyanato groups occupy trans positions in the complex, while in II the chloride ions are not coordinated, and water molecules are found at their expected places in the complex cation. In the coordination polyhedrons of the Co complexes, the bonds between the metal and the oxygen atoms of the AAA ligands have the largest lengths (2.078-2.096 A). The Co-N(NCS) and Co-O(H/sub 2/O) distances are slightly shorter (2.044-2.046 A). The conformation of the chelate rings in compounds i and II is identical: a strongly flattened boat with small folds (3.1-10/sup 0/) along the O...O and C...C lines. In compounds I and II the complex molecules are joined to one another by H bonds.

• Research Organization: N.S. Kurnakov Institute of General and Inorganic Chemistry, USSR
• OSTI ID: 6476419
• Journal Information: Sov. J. Coordinat. Chem.; (United States), Journal Name: Sov. J. Coordinat. Chem.; (United States) Vol. 12:1; ISSN SJCCD
• Country of Publication: United States
• Language: Russian

Related Subjects

36 MATERIALS SCIENCE
360602 -- Other Materials-- Structure & Phase Studies
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
AMIDES
ANTITHYROID DRUGS
BOND ANGLE
BOND LENGTHS
CARBONIC ACID DERIVATIVES
CATALYTIC EFFECTS
CHLORIDES
CHLORINE COMPOUNDS
COBALT CHLORIDES
COBALT COMPLEXES
COBALT COMPOUNDS
COHERENT SCATTERING
COMPLEXES
COMPUTERIZED SIMULATION
COORDINATION NUMBER
COORDINATION VALENCES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DIFFRACTION
DIMENSIONS
DISTANCE
DRUGS
HALIDES
HALOGEN COMPOUNDS
HORMONE ANTAGONISTS
HYDRATES
INTERATOMIC DISTANCES
IONIC CRYSTALS
LATTICE PARAMETERS
LATTICE VIBRATIONS
LEAST SQUARE FIT
LENGTH
LIGANDS
MAXIMUM-LIKELIHOOD FIT
MOLECULAR STRUCTURE
NUMERICAL SOLUTION
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
ORTHORHOMBIC LATTICES
SCATTERING
SIMULATION
SPACE GROUPS
STRUCTURAL CHEMICAL ANALYSIS
THIOCYANATES
TRANSITION ELEMENT COMPLEXES
TRANSITION ELEMENT COMPOUNDS
VALENCE
X-RAY DIFFRACTION