SISTEMAS SUPRAMOLECULARES BIOORGÁNICOS
SUPRABIO
Instituto de Química Médica
Madrid, EspañaPublicaciones en colaboración con investigadores/as de Instituto de Química Médica (145)
2023
-
X-ray Molecular Structures of 23 N1-4-Nitrophenyl, 2,4-Dinitrophenyl, and 2,4,6-Trinitrophenyl-2-pyrazolines
Crystal Growth and Design, Vol. 23, Núm. 2, pp. 1145-1161
2022
-
Pyrazaboles and Pyrazolylboranes
Coordination Chemistry Reviews, Vol. 473
2021
-
A structural analysis of 2,5-diaryl-4H-2,4-dihydro-3H-1,2,4-triazol-3-ones: NMR in the solid state, X-ray crystallography, and GIPAW calculations
Magnetic Resonance in Chemistry, Vol. 59, Núm. 4, pp. 423-438
-
Conformational analysis of 2,5-diaryl-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-ones: Multinuclear NMR and DFT calculations
Journal of Heterocyclic Chemistry, Vol. 58, Núm. 5, pp. 1130-1140
2020
-
A GIPAW versus GIAO-ZORA-SO study of 13C and 15N CPMAS NMR chemical shifts of aromatic and heterocyclic bromo derivatives
Solid State Nuclear Magnetic Resonance, Vol. 108
-
A theoretical and spectroscopic (NMR and IR) study of indirubin in solution and in the solid state
Journal of Physical Organic Chemistry, Vol. 33, Núm. 4
-
Regiospecific synthesis and structural studies of 3,5-dihydro-4h-pyrido[2,3-b][1,4]diazepin-4-ones and comparison with 1,3-dihydro-2h-benzo[b][1,4]diazepin-2-ones
ACS Omega, pp. 25408-25422
2019
-
A structural study of new tetrakis(1H-pyrazol-1-yl)methanes
Tetrahedron, Vol. 75, Núm. 48
-
A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles
Magnetic Resonance in Chemistry, Vol. 57, Núm. 6, pp. 275-284
-
New N,C-diaryl-1,2,4-triazol-3-ones: Synthesis and evaluation as anticancer agents
Medicinal Chemistry, Vol. 15, Núm. 4, pp. 360-372
-
Synthesis of a new 24-membered tetramide macrocycle and X-ray crystal structure determination
Tetrahedron Letters, Vol. 60, Núm. 17, pp. 1206-1209
-
Synthesis, structure and NMR study of fluorinated isoxazoles derived from hemi-curcuminoids
Journal of Fluorine Chemistry, Vol. 219, pp. 39-49
-
The structure of the anti-aging agent J147 used for treating Alzheimer’s disease
Acta Crystallographica Section C: Structural Chemistry, Vol. 75, pp. 271-276
-
The synergy of different solid-state techniques to elucidate the supramolecular assembly of two 1: H -benzotriazole polymorphs
Physical Chemistry Chemical Physics, Vol. 21, Núm. 36, pp. 19879-19889
2018
-
Libration of phenyl groups detected by VT-SSNMR: Comparison with X-ray crystallography
Magnetic Resonance in Chemistry, Vol. 56, Núm. 11, pp. 1083-1088
-
Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines
Journal of Molecular Structure, Vol. 1155, pp. 205-214
-
The Structure of N-phenyl-pyrazoles and Indazoles: Mononitro, Dinitro, and Trinitro Derivatives
Journal of Heterocyclic Chemistry, Vol. 55, Núm. 1, pp. 44-64
-
The structure of fosfomycin salts in solution and in the solid state by nuclear magnetic resonance spectroscopy and DFT calculations
Tetrahedron, Vol. 74, Núm. 29, pp. 3937-3942
-
The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C: Structural Chemistry, Vol. 74, Núm. 4, pp. 513-522