Quinic Acid Derivatives as Sialyl Lewisx-Mimicking Selectin Inhibitors:  Design, Synthesis, and Crystal Structure in Complex with E-Selectin

2005 ◽  
Vol 48 (13) ◽  
pp. 4346-4357 ◽  
Author(s):  
Neelu Kaila ◽  
William S. Somers ◽  
Bert E. Thomas ◽  
Paresh Thakker ◽  
Kristin Janz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Quinic Acid ◽  
Sialyl Lewisx ◽  
Design Synthesis ◽  
Synthesis And Crystal Structure

Design, synthesis and crystal structure of six macrocyclic complexes as efficient and effective nitric oxide scavengers

Polyhedron ◽  
2018 ◽  
Vol 156 ◽  
pp. 249-256 ◽  
Author(s):  
Qingrong Cheng ◽  
Yuqi Wan ◽  
Liwen Wang ◽  
Guiying Liao ◽  
Zhiquan Pan
Keyword(s):  
Crystal Structure ◽  
Nitric Oxide ◽  
Macrocyclic Complexes ◽  
Design Synthesis ◽  
Synthesis And Crystal Structure

Conformational control through co-operative nonconventional C—H...N hydrogen bonds

2021 ◽  
Vol 77 (8) ◽  
Author(s):  
Eric Bosch ◽  
Nathan P. Bowling ◽  
Shalisa M. Oburn
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Hirshfeld Surface ◽  
Design Synthesis ◽  
Synthesis And Crystal Structure

We report the design, synthesis, and crystal structure of a conjugated aryleneethynyl molecule, 2-(2-{4,5-dimethoxy-2-[2-(2,3,4-trifluorophenyl)ethynyl]phenyl}ethynyl)-6-[2-(pyridin-2-yl)ethynyl]pyridine, C30H17F3N2O2, that adopts a planar rhombus conformation in the solid state. The molecule crystallizes in the space group P\overline{1}, with Z = 2, and features two intramolecular sp2 -C—H...N hydrogen bonds that co-operatively hold the arylethynyl molecule in a rhombus conformation. The H atoms are activated towards hydrogen bonding since they are situated on a trifluorophenyl ring and the H...N distances are 2.470 (16) and 2.646 (16) Å, with C—H...N angles of 161.7 (2) and 164.7 (2)°, respectively. Molecular electrostatic potential calculations support the formation of C—H...N hydrogen bonds to the trifluorophenyl moiety. Hirshfeld surface analysis identifies a self-complementary C—H...O dimeric interaction between adjacent 1,2-dimethoxybenzene segments that is shown to be common in structures containing that moiety.

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