A computational analysis of some diaryl ureas in relation to their observed crystalline hydrogen bonding patterns

1991 ◽  
Vol 1 (1) ◽  
pp. 75-87 ◽  
Author(s):  
Jane S. Murray ◽  
M. Edward Grice ◽  
Peter Politzer ◽  
Margaret C. Etter
Keyword(s):  
Hydrogen Bonding ◽  
Computational Analysis ◽  
Bonding Patterns

scholarly journals Doubly ionic hydrogen bond interactions within the choline chloride–urea deep eutectic solvent

2016 ◽  
Vol 18 (27) ◽  
pp. 18145-18160 ◽  
Author(s):  
Claire R. Ashworth ◽  
Richard P. Matthews ◽  
Tom Welton ◽  
Patricia A. Hunt
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Analysis ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Hydrogen Bond Interactions

Computational analysis indicates flexibility and diversity in the hydrogen bonding, but limited charge delocalisation, within the choline chloride–urea eutectic.

Computational analysis of the effect of [Tea][Ms] and [Tea][H2PO4] ionic liquids on the structure and stability of Aβ(17–42) amyloid fibrils

2021 ◽  
Vol 23 (11) ◽  
pp. 6695-6709
Author(s):  
D. Gobbo ◽  
A. Cavalli ◽  
P. Ballone ◽  
A. Benedetto
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Liquid Water ◽  
Computational Analysis ◽  
Amyloid Fibrils ◽  
Aβ Peptides ◽  
Structure And Stability ◽  
Water Solutions ◽  
Kinetics Of

Tight coordination of peptides by organic anions driven by hydrogen bonding affects the fibrillation kinetics of Aβ peptides in ionic liquid/water solutions.

Hydrogen-bonding patterns in the cocrystal 2,4-diamino-6-phenyl-1,3,5-triazine–sorbic acid (1/1)

2007 ◽  
Vol 63 (11) ◽  
pp. o4450-o4451 ◽  
Author(s):  
Kaliyaperumal Thanigaimani ◽  
Packianathan Thomas Muthiah ◽  
Daniel E. Lynch
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Sorbic Acid ◽  
Carboxyl Group ◽  
Amino Group ◽  
Acid Molecule ◽  
Asymmetric Unit ◽  
Graph Set ◽  
Bonding Patterns

In the title cocrystal, C9H9N5·C6H8O2, the asymmetric unit contains one 2,4-diamino-6-phenyl-1,3,5-triazine molecule and a sorbic acid molecule. The triazine molecules are base-paired [with a graph set of R 2 2(8)] on either side via N—H...N hydrogen bonds, forming a supramolecular ribbon along the c axis. Each triazine molecule interacts with the carboxyl group of a sorbic acid molecule via N—H...O and O—H...N hydrogen bonds, generating R 2 2(8) motifs. The supramolecular ribbons are interlinked by N—H...O hydrogen bonds involving the 2-amino group of the triazine molecules and the carboxyl O atom of the sorbic acid molecule.

Molecular structure, hydrogen-bonding patterns and topological analysis (QTAIM and NCI) of 5-methoxy-2-nitroaniline and 5-methoxy-2-nitroaniline with 2-amino-5-nitropyridine (1:1) co-crystal

2016 ◽  
Vol 1119 ◽  
pp. 505-516 ◽  
Author(s):  
Javier Hernández-Paredes ◽  
Roberto C. Carrillo-Torres ◽  
Alonso A. López-Zavala ◽  
Rogerio R. Sotelo-Mundo ◽  
Ofelia Hernández-Negrete ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Topological Analysis ◽  
Bonding Patterns

Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences

2018 ◽  
Vol 18 (11) ◽  
pp. 6786-6800 ◽  
Author(s):  
Alfonso Castiñeiras ◽  
Isabel García-Santos ◽  
Josefa María González-Pérez ◽  
Antonio Bauzá ◽  
Jan K. Zaręba ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Supramolecular Assemblies ◽  
Hydroxycarboxylic Acids ◽  
Bonding Patterns

Hydrogen bonding patterns in X-ray diffraction studies of neuropeptides

Peptides ◽  
1994 ◽  
pp. 490-492 ◽  
Author(s):  
J. L. Flippen-Anderson ◽  
C. George ◽  
J. Deschamps
Keyword(s):  
Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bonding Patterns
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