Interaction Scheme


Pyridinium  1 1   2 %28methoxycarbonyl%29 1 4 phenylene bis%28methylene%29 bis
Pyridinium, 1,​1'-​[[2-​(methoxycarbonyl)​-​1,​...



Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 1.0 M-1
Kd >
logKa > 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG < 0.0 0.0
Binding not determined
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Detailed information about the solvation.
Solvent System Buffer System deuterated acetate pD-5.14
Solvents Deuterium Oxide
Additives acetic acid
Sodium acetate
Source of Concentration estimated
pH 4.74
Please find here information about the dataset this interaction is part of.

V. Sindelar, V. Kolman, P. Kulhanek, SupraBank 2022, Inclusion of Carboxyl Function Inside of Cucurbiturils and its Use in Molecular Switches (dataset).

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Please find here information about the scholarly article describing the results derived from that data.

V. Kolman, P. Kulhanek, V. Sindelar, Chem. Asian J. 2010, 5, 2386–2392.

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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Pyridinium, 1,​1'-​[[2-​(methoxycarbonyl)​-​1,​4-​phenylene]​bis(methylene)​]​bis- (20.0 M) and CB7 (0 — 40.0 M).