Crystal and molecular structure analysis of flutamide. Bifurcated helicoidal C-H ⋯ O hydrogen bonds

1994 ◽  
Vol 5 (2) ◽  
pp. 79-84 ◽  
Author(s):  
J. M. Cense ◽  
V. Agafonov ◽  
R. Ceolin ◽  
P. Ladure ◽  
N. Rodier
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Molecular Structure Analysis

Struktur und Magnetismus stabiler Radikalkation-Salze: Ν,N′-Diethylchinoxalinium Tetraphenylborat im Vergleich mit Pyrazinium- und Phenazinium-Analogen / Structure and Magnetism of Stable Cation Radical Salts: N,N′-Diethylquinoxalinium Tetraphenylborate as Compared with Pyrazinium and Phenazinium Analogues

1989 ◽  
Vol 44 (10) ◽  
pp. 1233-1238 ◽  
Author(s):  
H.-D. Hausen ◽  
Wolfgang Kaim ◽  
Andreas Schulz ◽  
Eberhard Roth
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Cation Radical ◽  
Structural Features ◽  
Alkyl Groups ◽  
Molecular Structure Analysis ◽  
Benzo Derivative ◽  
Quinoxaline Ring

Crystal and molecular structure analysis of N,N′-diethylquinoxalinium tetraphenylborate shows a virtually planar quinoxaline ring with 11 conjugated π electrons and approximately antiperiplanar ethyl groups. In comparison with the benzo-analogous phenazinium systems and the de-benzo derivative N,N′-diethylpyrazinium cation, the quinoxalinium species adopts an intermediate position in terms of intra- and intermolecular structural features. In particular, increasing benzanellation seems to favour a cation/anion approach for electrostatic reasons whereas the N—C bonds to the hyperconjugatively charge delocalizing alkyl groups increase due to peri interactions. Solid state magnetic and ESR measurements are compatible with the crystallographically determined structure.

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