Solid State and Solution Study of Trinuclear (Ni, Ba, Ni) Complexes:  (L12Ni)2Ba(ClO4)2·2H2O (1) and (L22Ni)2Ba(ClO4)2·2H2O (2) (L1= 3-Methoxysalicylaldiminato and L2= 3-(2-Methoxyethoxy)salicylaldiminato). Crystal and Molecular Structure of2

1997 ◽  
Vol 36 (4) ◽  
pp. 656-660 ◽  
Author(s):  
Jean-Pierre Costes ◽  
Jean-Pierre Laurent ◽  
Philippe Chabert ◽  
Gérard Commenges ◽  
Françoise Dahan
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Crystal And Molecular Structure ◽  
Solution Study

Interaction of diiodine with some tetra-substituted dithiooxamides. Crystal and molecular structure of bis(morpholinothiocarbonyl)bis(diiodine)

1988 ◽  
Vol 66 (6) ◽  
pp. 1483-1489 ◽  
Author(s):  
Davide Atzei ◽  
Paola Deplano ◽  
Emanuele F. Trogu ◽  
Francesco Bigoli ◽  
Maria Angela Pellinghelli ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Solid State ◽  
Torsion Angle ◽  
Crystal And Molecular Structure ◽  
Formation Constants ◽  
Dalton Trans ◽  
X Ray ◽  
Space Groups ◽  
Spectrophotometric Methods

The reaction of some tetra-substituted dithiooxamides R2NC(S)C(S)NR2 (R = CH3:Me4dto; R = C2H5:Et4dto; R2N = OC4H8N:Mo2dto) with diiodine has been investigated by spectrophotometric methods in CHCl3. The formation in solution of 1:1 and 1:2 charge-transfer (c.t.) complexes between the reagents has been observed. A new computer program, derived from "SUPERQUAD" (P. Gans, A. Sabatini, and A. Vacca. J. Chem. Soc. Dalton Trans. 1195 (1985)), has been applied to evaluate the formation constants. The 1:2 c.t. complexes have been isolated in the solid state, and an X-ray structure analysis of the [OC4H8NC(S)C(S)NC4H8O]•2I2 compound indicated that the crystals are triclinic, space groups [Formula: see text], with a = 14.659(6), b = 15.111(6), c = 9.317(5) Å, α = 92.29(2), β = 99.71(2), γ = 99.48(2)° and Z = 4. In particular the torsion angle S—C—C—S (≈90°) shows that the conformation of the dithiooxamide is not trans.

Crystal and Molecular Structure of 3-(N-Methoxy-N-methylcarbamoyl)- 2,2,5,5-tetramethyl-1-oxy-pyrroline

2010 ◽  
Vol 65 (4) ◽  
pp. 475-478
Author(s):  
Guido D. Frey ◽  
Eberhardt Herdtweck
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Crystal And Molecular Structure ◽  
Layer Structure ◽  
Nitroxide Radical ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Stable Nitroxide

The crystal structure of the stable nitroxide radical 3-(N-methoxy-N-methylcarbamoyl)-2,2,5,5- tetramethyl-1-oxy-pyrroline was determined from single-crystal X-ray data: orthorhombic, space group Pbca (no. 61), a = 9.0213(1), b = 12.8625(1), c = 21.2406(2) Å, V = 2464.68(4) Å3 and Z = 8. The adjacent molecules assemble to a supramolecular layer structure in the solid state, linked by two intermolecular C-H...O hydrogen bonds.

Preparation and crystal and molecular structure of (η3-octamethylcyclotetraphosphazane-P,P,P)tricarbonylmolybdenum(0), [η3-(CH3PNCH3)4]Mo(CO)3

1982 ◽  
Vol 60 (19) ◽  
pp. 2415-2419 ◽  
Author(s):  
Keith D. Gallicano ◽  
Norman L. Paddock ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Phosphorus Atom ◽  
Mirror Symmetry ◽  
Crystal And Molecular Structure ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Full Matrix ◽  
Carbonyl Ligands ◽  
Distorted Octahedral

The synthesis and physical properties of the phosphazane complex [η3-(CH3PNCH3)4]Mo(CO)3 are reported. Crystals of (η3-octamethylcyclotetraphosphazane-P,P,P)tricarbonylmolybdenum(0) are monoclinic, a = 8.6898(9), b = 16.0987(8), c = 14.1156(17) Å, β = 98.321(6)°, Z = 4, space group Cc. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to R = 0.020 and Rw = 0.024 for 2286 reflections with I ≥ 3σ(I). The molybdenum atom is coordinated to three phosphorus atoms of the (MePNMe)4 ligand and to three carbonyl ligands in a distorted octahedral geometry. The molecule has approximate mirror symmetry in the solid state. Important bond lengths (corrected for libration) are: Mo—P = 2.537(1), 2.467(1), and 2.513(1), Mo—C = 1.971(4), 2.002(4), and 1.978(4), mean P—N = 1.704(8) for coordinated P, 1.735(7) Å for uncoordinated P. The structural evidence indicates that the phosphazane is a weaker donor to Mo(CO)3 than to three sulphur atoms, and that coordination withdraws electron density from the fourth phosphorus atom. The complex is fluxional in solution.

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