Substituent Effects on Enthalpies of Formation of Nitrogen Heterocycles:  2-Substituted Benzimidazoles and Related Compounds

2006 ◽  
Vol 110 (7) ◽  
pp. 2535-2544 ◽  
Author(s):  
Lourdes Infantes ◽  
Otilia Mó ◽  
Manuel Yáñez ◽  
María Victoria Roux ◽  
Pilar Jiménez ◽  
...  
Keyword(s):  
Nitrogen Heterocycles ◽  
Substituent Effects ◽  
Enthalpies Of Formation ◽  
Related Compounds

Structure and Conformation of Photosynthetic Pigments and Related Compounds 9 On the Structure and Macrocycle Conformation of Two Copper(II) Rhodochlorin Derivatives and Two Related Rhodoporphyrins

1995 ◽  
Vol 50 (6) ◽  
pp. 969-981 ◽  
Author(s):  
Mathias O. Senge ◽  
Karin Ruhlandt-Senge ◽  
Shwn-Ji H. Lee ◽  
Kevin M. Smith
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Formic Acid ◽  
Photosynthetic Pigments ◽  
Dimethyl Ester ◽  
Substituent Effects ◽  
Crystal Data ◽  
Free Base ◽  
The Mean ◽  
Related Compounds

Crystal structure analyses of (rhodochlorinato-15-acetic trimethyl ester)copper(II) 3 and (31, 32-didehydro-rhodochlorinato-15-formic acid trimethyl ester)copper(II) 4 reveal intriguing multiple macrocycle conformations of the metallochlorins in the crystal. The observed conformations range from almost planar macrocycles to distorted macrocycles with individual atoms being displaced up to 0.72 Å from the mean plane. The nonplanar macrocycles show a S4-ruffled macrocycie distortion with significant distortions for the meso-carbons and tilting of the Cb- Cb axes. A comparison with the related free base porphyrins rhodoporphyrin-15- acetic acid trimethyl ester 5 and rhodoporphyrin dimethyl ester 6 shows that the conformational distortion is due to the mixing of metal and substituent effects, hydroporphyrin character, and packing forces. Crystal data: 3, monoclinic, P21, a = 12.096(4) Å, b - 14.307(4) Å, c = 22.343(9) Å , β = 104.94(4)°, Z = 4 (2 indep. mol.), R = 0.069 for 8141 reflections with I > 2.0σ(I); 4, triclinic, P 1, a = 10.528(3) Å . b - 10.646(4) Å, c = 34.026(13) Å, α = 89.81(4)°, β = 88.72(3)°, γ = 60.38(2)°, Z = 4 (4 indep. mol.). R = 0.073 for 9446 reflections with I > 2.5σ(I); 5, triclinic, P 1̄, a = 9.591(2) Å, b = 12.959(4) Å, c = 13.453(4) Å, α = 105.86(2)°, β = 92.67(2)°, γ = 96.12(2)°, Z = 2, R = 0.060 for 4990 reflections with I > 2.5 σ(I); 6, triclinic, P 1̄, a = 8.908(4) Å, b = 12.895(5) Å, c = 13.482(6) Å , α = 102.74(3)°, β = 90.38(4)°, γ = 91.84(3)°, Z = 2, R = 0.089 for 3369 reflections with I > 2.0σ(I).

Pyrimidine N-Oxides. II. The Synthesis of Some Amino- and Imino-pyrimidine N-Oxides and Related Compounds

1979 ◽  
Vol 32 (9) ◽  
pp. 2049 ◽  
Author(s):  
WB Cowden ◽  
NW Jacobsen
Keyword(s):  
Substituent Effects ◽  
Acid Oxidation ◽  
Peroxy Acid ◽  
Related Compounds

Substituent effects on the peroxy acid oxidation of some pyrimidine-2,4,6-triamines are reported together with the synthesis of new N'-methylpyrimidine N-oxides and a pyrimidine N,N'-dioxide.

ChemInform Abstract: Synthesis of Vinca Alkaloids and Related Compounds. Part 49. Aromatic Substituent Effects in the C-14 Epimerization.

ChemInform ◽  
2010 ◽  
Vol 22 (33) ◽  
pp. no-no
Author(s):  
I. MOLDVAI ◽  
A. VEDRES ◽  
C. JUN. SZANTAY ◽  
G. TOTH ◽  
C. SZANTAY
Keyword(s):  
Substituent Effects ◽  
Vinca Alkaloids ◽  
Aromatic Substituent ◽  
Related Compounds
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