CHARGE-TRANSFER COMPLEXES OF NITRODERIVATIVE OF 9,10- PHENANTHRENEQUINONE WITH ANTHRACENE. CRYSTAL AND MOLECULAR STRUCTURE OF THE COMPLEX (1: 1) 2,4,7-TRINITRO-9,10- PHENANTHRENEQUINONE AND ANTHRACENE

2021 ◽  
Vol 62 (1) ◽  
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Crystal And Molecular Structure ◽  
Charge Transfer Complexes ◽  
Anthracene Crystal

The Crystal and Molecular Structure of Charge-Transfer Complex of Azo Dyestuff 5-(4-Chloro-2-nitrophenyl)-azo-6-hydroxy-1-ethyl-3-cyano-4-methyl-2-pyridone with Naphthalene

1993 ◽  
Vol 58 (9) ◽  
pp. 2121-2127 ◽  
Author(s):  
Josef Přikryl ◽  
Bohumil Kratochvíl ◽  
Jan Ondráček ◽  
Jaroslav Maixner ◽  
Jiří Klicnar ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Pyridine Ring ◽  
Charge Transfer Complex ◽  
Crystal And Molecular Structure ◽  
Crystal Packing ◽  
Direct Methods ◽  
Van Der Waals Forces ◽  
Triclinic Space Group ◽  
Π Stacking Interaction

The title charge-transfer complex crystallizes in the ratio of two molecules of azo dyestuff to one molecule of naphthalene. The crystals are triclinic, space group P1, lattice parameters a = 7.953(1), b = 11.608(2), c = 11.717(2) Å, α = 101.89(2), β = 94.27(2), γ = 109.91(2)°, Z = 2. The structure was solved by direct methods and refined anisotropically to R = 0.054 for 1 768 unique observed reflections. Crystal packing is stabilized by van der Waals forces and partly by π-π stacking interaction among naphthalene, phenyl and pyridine ring of pyridon azo dyestuff.

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.

Interaction of diiodine with Et4todit = 4,5,6,7-tetrathiocino [1,2-b:3,4-b′]diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione. Crystal and molecular structure of Et4todit•2I2

1989 ◽  
Vol 67 (9) ◽  
pp. 1416-1420 ◽  
Author(s):  
Davide Atzei ◽  
Paola Deplano ◽  
Emanuele F. Trogu ◽  
Francesco Bigoli ◽  
Maria Angela Pellinghelli ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Crystal And Molecular Structure ◽  
Equilibrium Constants ◽  
Structural Data ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Transfer Structure ◽  
General Computer Program

Spectrophotometric studies on the reaction between diiodine and the title ligand in ratios ranging from 1:1 to 1:20 in CHCl3 have shown the formation of a 1:1 charge-transfer complex. A general computer program has been used to refine the equilibrium constant and the extinction coefficients simultaneously. In the solid state a 1:2 (donor to acceptor) complex has been isolated and an X-ray structure analysis of the compound indicated that the crystals are monoclinic, space group C2/c with a = 16.317(4), b = 13.912(3), c = 12.879(3) Å, β = 111.24(2)°, Z = 4.The molecular structure shows that two sulphur-thioamide atoms of the ligand act as donor with respect to two diiodine molecules. The structural data of the organic molecule of the complex and those of the free molecule are very similar. Keywords: diiodine, thioamides, charge-transfer, structure, equilibrium-constants.

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