Synthesis and crystal structure of thermochroic 2,6-di-tert-butyl-4-dimethylamino-4-(2-hydroxyphenyl) cyclohexadien-2,5-one

Author(s):  
S. M. Aldoshin ◽  
O. S. Filipenko ◽  
M. A. Novozhilova ◽  
L. O. Atovmyan ◽  
V. N. Komissarov ◽  
...  
Author(s):  
Wu-Wu Li ◽  
Xiong-Li Liu ◽  
Xiao-Peng Li ◽  
Hao-Nan Zheng ◽  
A-Tong Weng ◽  
...  

Abstract C39H38N2O9, monoclinic, P21/c (no. 14), a = 9.9846(6) Å, b = 31.4308(13) Å, c = 11.5739(6) Å, β = 110.712(7)°, V = 3397.4(3) Å3, Z = 4, R gt (F) = 0.0596, wR ref(F 2) = 0.1221, T = 293 K.


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Warren T. Ford ◽  
Paul J. Wooldridge ◽  
Elizabeth M. Holt

Molecules ◽  
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Daryl L. Ostercamp ◽  
Lisa M. Preston ◽  
Kay D. Onan

The unit cell of N-tert-butyl-3-(tert-butylimino)-2-nitropropen-1-amine (4) is monoclinic, space group P21/C, with a = 9.669(4), b = 16.415(6), c = 17.341 (7) Å, and Z = 4. Hydrolysis of 4 leads to (E)-3-(N-tert-butylamino)-2-nitro-2-propenal (5), whose unit cell is monoclinic, space group P21/n, with a = 6.821(1), b = 20.707(6), c = 6.303(1)Å, and Z = 4. Compounds 4 and 5 both possess C2 symmetry in the solid state, their “U-shaped” conjugated cores being essentially planar. In each case this planarity is enforced by an intramolecular hydrogen bond.


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