Preparation, structural studies, and some reactions of new heterobinuclear complexes containing molybdenum, tungsten, or manganese and rhodium or copper; X-ray crystal structures of [MoRh(CO)(µ-CO)2(PPh3)2(η-C5H5)] and two isomers of [CuW(CO)3(PPh3)2(η-C5H5)]

1984 ◽  
pp. 1693-1701 ◽  
Author(s):  
Laurence Carlton ◽  
W. Edward Lindsell ◽  
Kevin J. McCullough ◽  
Peter N. Preston
Keyword(s):  
Crystal Structures ◽  
Structural Studies ◽  
X Ray

Comparative Structural Studies on Three-Coordinate Copper(I) Halide Complexes With Tertiary Phosphines. Crystal Structures of [(PPh2Mes)CuX]2 and [(PPhMes2)CuX]2 (Mes = Mesityl X = Cl, Br, I)

1992 ◽  
Vol 45 (7) ◽  
pp. 1155 ◽  
Author(s):  
GA Bowmaker ◽  
D Camp ◽  
RD Hart ◽  
PC Healy ◽  
BW Skelton ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Copper Atom ◽  
Structural Studies ◽  
Coordination Environment ◽  
X Ray ◽  
Tertiary Phosphines ◽  
Structure Determinations ◽  
Halide Complexes ◽  
The Subject

The 1 : 1 complexes of the substituted triphenylphosphine ligands mesityldiphenylphosphine and dimesitylphenylphosphine with copper(1) chloride, bromide and iodide have been the subject of single-crystal X-ray structure determinations at 295 K. All six complexes crystallize as air-stable dimeric molecules, [(PPh2Mes)CuX]2 and [ (PPhMes2)CUX]2 with each copper atom in a distorted trigonal PCuX2. coordination environment. Crystals of [(PPh2Mes)CuCl]2 (1) are monoclinic, P21/n, a 9.961(3), b 18.687(6), c 11.009(7) Ǻ, β 114.63(4)°; R was 0.049 for 2450 'observed' reflections. [(PPh2Mes)CuBrI2 (2) is monoclinic, P21/n, a 9.939(2), b 18.832(6), c 11.238(6) Ǻ, β 115.36(3)°; R was 0.046 for 1803 'observed' reflections. [(PPh2Mes)CuI]2.4/3 C6H6 (3) is rhornbohedral, R3, a 36.877(8), c 9.047(5) A; R was 0.039 for 2537 'observed' reflections. Crystals of [(PPhMes2)CuCl]2.2MeCN (4) are triclinic, Pi, a 15.783(7), b 9.570(4), c 8.914(4) Ǻ, α 72.43(3), β 76.37(3), γ 74.03(3)°; R was 0.045 for 3341 'observed' reflections. [(PPhMes2)CuBr]2.3C6H6 (5) is monoclinic, C2/c, a 9.694(6), b 30.15(2), c 20.66(2) Ǻ, β 98.00(7)°; R was 0.047 for 2117 'observed' reflections. [(PPhMes2)CuI]2.2MeCN (6) is orthorhombic, PP1nb, a 11.694(8), b 14.77(1), c 29.76(3) Ǻ; R was 0.049 for 3447 'observed' reflections. Cu-P bond lengths are: 2.196(2) A (1); 2.198(3) Ǻ (2); 2.222(5) and 2.226(5) Ǻ (3); 2.202(1) Ǻ (4); 2.197(3) A (5); 2.201(4) and 2.264(5) Ǻ (6). The geometries of the LCuX2 and CuX2Cu units are compared with data reported for other monomeric and dimeric compounds for both phosphorus- and nitrogen-based ligands L.

Structural Studies of Some o- and p-Nitrophenylcarbamates by IR Spectroscopy and X-Ray Diffraction

2008 ◽  
Vol 63 (12) ◽  
pp. 1402-1406
Author(s):  
Monika Simon ◽  
Carol Csunderlik ◽  
G. Jones
Keyword(s):  
Ir Spectroscopy ◽  
Crystal Structures ◽  
Ir Spectrum ◽  
Structural Studies ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray

N-Alkyl-o-nitrophenylcarbamates as solids present two carbonyl stretching bands in the region 1700 - 1800 cm−1 but similar N-alkyl-p-nitrophenylcarbamates have only one such band in the IR spectrum. In solution both kinds of carbamate present one carbonyl stretching band, but for the former, the splittings occur when the carbamates crystallize. Four crystal structures were analyzed by X-ray diffraction. The two ortho derivatives have more than one molecule in the asymmetric unit, which is consistent with the IR observations.

Structural Studies of N-Acyl 1,1′-Bis(1,2,3,4-tetrahydroisoquinoline) Derivatives

2002 ◽  
Vol 55 (11) ◽  
pp. 733 ◽  
Author(s):  
Donald C. Craig ◽  
Zaher M. A. Judeh ◽  
Roger W. Read
Keyword(s):  
Crystal Structures ◽  
Structural Studies ◽  
X Ray ◽  
Solid States ◽  
First Time ◽  
Rotational Freedom

The X-ray crystal structures of N-acyl substituted 1,1′-bis(1,2,3,4-tetrahydroisoquinolines) are disclosed for the first time and evidence is provided that the molecules reside in single preferred conformations in solution and solid states, with axial bonds bridging C1–C1′ that have no steric impediment to rotational freedom.

X-ray Structural Analysis for the Prediction on the Nature of the Retro Diels - Alder Pathway: Concerted or Stepwise. Structural Studies on Nitrosobenzene Cycloadducts

2009 ◽  
Vol 62 (12) ◽  
pp. 1695 ◽  
Author(s):  
Jesse Roth-Barton ◽  
Jonathan M. White
Keyword(s):  
Structural Analysis ◽  
Crystal Structures ◽  
Diels Alder ◽  
Structure Parameters ◽  
Structural Studies ◽  
Structural Effects ◽  
X Ray ◽  
Early Stages ◽  
Clear Differentiation

Crystal structures of nitrosobenzene cycloadducts 5–7 reveal structural effects consistent with the early stages of the retro Diels–Alder fragmentation. There is a clear differentiation between the structure parameters of cycloadduct 5, which reacts by a concerted synchronous pathway and that of cycloadduct 6, which must react by a two-step pathway. Based on these data, cycloadduct 7 is predicted to react by a highly asynchronous or two-step pathway.

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