scholarly journals Derivatives of the Triaminoguanidinium Ion, 1. Synthesis, Crystal and Molecular Structures of 1,2,3-Tris(benzylamino)guanidinium Salts

2012 ◽  
Vol 67 (6) ◽  
pp. 631-642 ◽  
Author(s):  
Nicolas Bucher ◽  
Jan Szabo ◽  
Iris M. Oppel ◽  
Gerhard Maas
Keyword(s):  
Solid State ◽  
Anion Exchange ◽  
Molecular Structures ◽  
Guanidinium Chloride ◽  
Crystal And Molecular Structures ◽  
Derivatives Of ◽  
Guanidinium Salts

Triaminoguanidinium chloride was transformed into 1,2,3-tris(benzylamino)guanidinium chloride (3-Cl) in two steps. Anion exchange allowed the preparation of further salts 3-X. The crystal and molecular structures of 3-Cl, 3-I, 3-CF3COO and 3-CF3SO3 were determined. It was found that both the conformation of the cation and the nature of the anion determines the packing in the solid state. Interestingly, three different conformations of the cation were observed in the crystals.

Experimental and computational structural study of two hindered aminoanthraquinones in crystals and solutions

2000 ◽  
Vol 215 (9) ◽  
Author(s):  
A.V. Yatsenko ◽  
K.A. Paseshnichenko ◽  
S.I. Popov
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Electronic Spectra ◽  
Molecular Structures ◽  
Amino Group ◽  
Single Crystal Diffraction ◽  
Molecular Conformations ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Visible Spectra

The crystal and molecular structures of 2-methyl-1-methylamino-anthraquinone (I) and 1-methylphenylamino-anthraquinone (II) were studied by the X-ray single-crystal diffraction and the visible spectra of crystalline specimens and their solutions were recorded. The molecule I is closely planar, whereas in the molecule II the amino group is 58° rotated out of the plane of the anthraquinone skeleton. In both structures the molecules pack in stacks. The comparison of experimental and calculated (on the DFT and AM1 levels) molecular structures, together with the comparison of experimental and INDO/S-calculated electronic spectra, give the evidence that molecular conformations (especially for II) change upon transfer from the solid state to solutions, and the π-delocalisation throughout the whole molecule enhances in the solid state.

Crystal and Molecular Structures of Two AZA-Heterocyclic Derivatives of 6-Thio-D-Galactopyranose

1998 ◽  
Vol 17 (6) ◽  
pp. 923-936 ◽  
Author(s):  
Anne Imberty ◽  
Nadine Mouhous-Riou ◽  
Patrick Rollin ◽  
Stéphanie Cassel ◽  
Christelle Lorin ◽  
...  
Keyword(s):  
Molecular Structures ◽  
Crystal And Molecular Structures ◽  
Heterocyclic Derivatives ◽  
Derivatives Of

Crystal and molecular structures of 4-aryl-1,4-dihydropyrimidines: Novel calcium channel antagonists

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
K. Chandra Mohan ◽  
K. Ravikumar ◽  
M. M. Shetty ◽  
D. Velmurugan
Keyword(s):  
Solid State ◽  
Calcium Channel ◽  
Molecular Structures ◽  
Calcium Channel Antagonists ◽  
Crystal And Molecular Structures ◽  
Solid State Structures

AbstractThe solid-state structures of three calcium channel antagonists viz. 1,4-dihydro-6-methyl-5-N-methyl-carbamoyl-4-(3′,4′-dichlorophenyl)-2(3 H)-pyrimidinethione, C

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