Crystal and molecular structures of selected ruthenium (II) phosphate complexes and vinyl bromide-benzothiophene adducts
The crystal and molecular structures of two separate isomers for formula BrCl/sub 2/SC/sub 10/H/sub 7/ from a photochemical cycloaddition reaction of vinyl bromide to 2,3-dichlorobenzo(b)thiophene and a pair of isomers of dichlorocarbonyltris(methyldiphenylphosphine)ruthenium (II), (MePPh/sub 2/)/sub 3/Ru(CO)Cl/sub 2/, were determined by the use of three-dimensional, single crystal x-ray analysis and successive structure factor and electron-density map calculations using those independent reflections with I/sub 0/>3sigma/sub I/. Both isomers of BrCl/sub 2/SC/sub 10/H/sub 7/ (Product 1) crystallize in the monoclinic space group. The molecules are fused benzo(b)thiophenocyclobutane isomers, consisting of a slightly puckered trisubstituted cyclobutane ring. The appropriate name for each isomer is 1-bromo-2,3-(2,3-dichlorobenzo(b)thiopheno)cyclobutane where the bromine atom is either trans (Product 1) or cis (Product 2) with respect to the chlorine positions. Bond angles and bond lengths were calculated for both isomers. Trans-(MePPH/sub 2/)/sub 3/Ru(CO)Cl/sub 2/ crystallizes in the monoclinic space group. The spatial arrangement around the ruthenium atom is that of a distorted octahedron with three phosphine moieties, two chlorine atoms and a carbonyl group in the coordination sphere. The three phosphine moieties and the carbonyl group are arranged in a distorted square planar configuration about the ruthenium atom in the trans isomer. For the cis isomer three phosphine moieties and a chlorine atom are arranged in a similar square planar configuration. Bond angles and bond lengths were determined for both isomers. 8 figures, 22 tables.
- Research Organization:
- Ames Lab., IA (USA)
- DOE Contract Number:
- W-7405-ENG-82
- OSTI ID:
- 6576571
- Report Number(s):
- IS-T-1032; ON: DE83004788
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400201 -- Chemical & Physicochemical Properties
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
AROMATICS
BOND ANGLE
BOND LENGTHS
BROMINATED ALICYCLIC HYDROCARBONS
CARBONYLS
CHLORINATED ALICYCLIC HYDROCARBONS
COHERENT SCATTERING
COMPLEXES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DATA
DIFFRACTION
DIMENSIONS
EXPERIMENTAL DATA
HALOGENATED ALICYCLIC HYDROCARBONS
HETEROCYCLIC COMPOUNDS
INFORMATION
ISOMERS
LENGTH
LIGANDS
MOLECULAR STRUCTURE
MONOCLINIC LATTICES
NUMERICAL DATA
ORGANIC BROMINE COMPOUNDS
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PHOSPHINES
PHOSPHORUS COMPOUNDS
RUTHENIUM COMPLEXES
SCATTERING
THIONAPHTHENES
TRANSITION ELEMENT COMPLEXES
TRICLINIC LATTICES
X-RAY DIFFRACTION