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The Structure and Dynamic Properties of 1H-Pyrazole-4-Carboxylic Acids in the Solid State
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Lourdes Infantes
Veröffentlicht/Copyright:
3. Juni 2013
Abstract
The structure of three simple pyrazole-4-carboxylic acids unsubstituted in position 1 (NH derivatives) 1H-pyrazole-4-carboxylic acid (1), 3(5)-methyl-1H-pyrazole-4-carboxylic acid (2) and 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (3) are discussed based on crystallographic results (two new structures) and solid-state NMR (CPMAS). Compounds 1 and 3 present polymorphism and one of the polymorphs of each compound shows solid-state proton transfer (SSPT). Compound 2 presents tautomerism that has been studied by NMR, both in the solid-state and in solution at low temperature.
Published Online: 2013-6-3
Published in Print: 2013-6-1
© by Oldenbourg Wissenschaftsverlag, München, Germany
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Artikel in diesem Heft
- Editorial
- Biography of Prof. Dr. Hans-Heinrich Limbach
- Alumni and long term guests of the Limbach group
- NMR and FT-IR Studies on the Association of Derivatives of Thymidine, Adenosine, and 6-N-Methyl-Adenosine in Aprotic Solvents
- Competition between Hydrogen Bonds and Lewis Acid-Base Interactions in the Equilibria between Bis(pentafluorophenyl)borinic Acid and Pyridine: Insights from NMR, Diffractometric and Computational Studies
- Energy Analysis of Competing Non-Covalent Interaction in 1:1 and 1:2 Adducts of Collidine with Benzoic Acids by Means of X-Ray Diffraction
- A TT Dinucleotide with a Nonionic Silyl Backbone: Impact on Conformation and H-Bond Mediated Base Pairing as Studied by Low-Temperature NMR
- Oxygen and Hydrogen Isotopic Preference in Hydration Spheres of Chloride and Sulfate Ions
- Ab Initio Study of Cooperative Effects in Complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, Binding Energies, and Spin-Spin Coupling Constants across Intermolecular Bonds
- The Structure and Dynamic Properties of 1H-Pyrazole-4-Carboxylic Acids in the Solid State
- Acridine – a Promising Fluorescence Probe of Non-Covalent Molecular Interactions
- First Example of Hydrogen Bonding to Platinum Hydride
- Interaction of Hydrogen with a Cobalt(0001) Surface
- Immobilization and Characterization of RuCl2(PPh3)3 Mesoporous Silica SBA-3
- Secondary Isotope Effects on 13C and 15N Chemical Shifts of Schiff Bases Revisited
- Analysis of Nutation Patterns in Fourier-Transform NMR of Non-Thermally Polarized Multispin Systems
- The Structure of Supercooled Water and the Mechanism of Homogeneous Nucleation of Ice Ih
- Probing Small Protonated Water Clusters in Acetonitrile Solutions by 1H NMR
- Double Hydrogen Transfer in Low Symmetry Porphycenes
- Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry
Schlagwörter für diesen Artikel
Hydrogen Bonds;
Multinuclear NMR;
Solid-State Proton Transfer;
Tautomerism
Artikel in diesem Heft
- Editorial
- Biography of Prof. Dr. Hans-Heinrich Limbach
- Alumni and long term guests of the Limbach group
- NMR and FT-IR Studies on the Association of Derivatives of Thymidine, Adenosine, and 6-N-Methyl-Adenosine in Aprotic Solvents
- Competition between Hydrogen Bonds and Lewis Acid-Base Interactions in the Equilibria between Bis(pentafluorophenyl)borinic Acid and Pyridine: Insights from NMR, Diffractometric and Computational Studies
- Energy Analysis of Competing Non-Covalent Interaction in 1:1 and 1:2 Adducts of Collidine with Benzoic Acids by Means of X-Ray Diffraction
- A TT Dinucleotide with a Nonionic Silyl Backbone: Impact on Conformation and H-Bond Mediated Base Pairing as Studied by Low-Temperature NMR
- Oxygen and Hydrogen Isotopic Preference in Hydration Spheres of Chloride and Sulfate Ions
- Ab Initio Study of Cooperative Effects in Complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, Binding Energies, and Spin-Spin Coupling Constants across Intermolecular Bonds
- The Structure and Dynamic Properties of 1H-Pyrazole-4-Carboxylic Acids in the Solid State
- Acridine – a Promising Fluorescence Probe of Non-Covalent Molecular Interactions
- First Example of Hydrogen Bonding to Platinum Hydride
- Interaction of Hydrogen with a Cobalt(0001) Surface
- Immobilization and Characterization of RuCl2(PPh3)3 Mesoporous Silica SBA-3
- Secondary Isotope Effects on 13C and 15N Chemical Shifts of Schiff Bases Revisited
- Analysis of Nutation Patterns in Fourier-Transform NMR of Non-Thermally Polarized Multispin Systems
- The Structure of Supercooled Water and the Mechanism of Homogeneous Nucleation of Ice Ih
- Probing Small Protonated Water Clusters in Acetonitrile Solutions by 1H NMR
- Double Hydrogen Transfer in Low Symmetry Porphycenes
- Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry
