STRUCTURE OF NH-BENZAZOLES (1H-BENZIMIDAZOLES, 1H-AND 2H-INDAZOLES, 1H-AND 2H-BENZOTRIAZOLES (original) (raw)
A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials
Cristina Colorado Trujillo
Arkivoc, 2012
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Quantum-chemical studies of benzazoles nitration
Viktor Milata
Arkivoc, 2005
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A Comprehensive Study of N-Butyl-1H-Benzimidazole
Andrey Skripnikov
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A theoretical study of the structure, charge distribution and gas-phase basicity of 1-H-indazole and its N-methyl derivatives
Otilia Mó
Journal of Molecular Structure, 1983
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X-Ray Crystal Structure Analysis of Selected Benzimidazole Derivatives
Aravazhi Amalan Thiruvalluvar
IntechOpen, 2019
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SYNTHESIS, SPECTRAL AND THEORETICAL CHARACTERIZATION OF 5,6-DICHLORO/DIMETHYL-2-(2´,3´/2´,4´/2´,5´/3´,4´/3´,5´- DIMETHOXYPHENYL)-1H-BENZIMIDAZOLES
Chemistry Journal of Moldova ChemJMold
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Quantum-chemical studies of the nitration of benzazoles
Viktor Milata
2005
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Investigation of structural, spectral, electronic, and biological properties of 1,3-disubstituted benzimidazole derivatives
Burak Tüzün
Journal of Molecular Structure, 2020
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Coordination behavior of benzimidazole, 2-substituted benzimidazoles and benzothiazoles, towards transition metal ions
Norah Barba-Behrens
Arkivoc, 2007
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Five-membered heterocycles. Part IV: Impact of heteroatom on benzazole aromaticity
İsmail Yalçın
Journal of Molecular Structure, 2007
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Synthesis and Characterization of N-1-(2-hydroxy-3-methoxybenzyl)-2-(2-hydroxy-3-methoxyphenyl)-1H-benzimidazole
Hasnah Osman
2011
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Synthesis, spectroscopic characterization and DFT calculations of N-Methyl-2-(2ʹ-hydroxyphenyl)benzimidazole derivatives
Yunus Bekdemir
Journal of Molecular Structure, 2016
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On the Protonation Equilibrium for the Benzimidazole Derivative Hoechst 33258: An Electronic Molecular Orbital Study
Amitava Adhikary
Journal of Biomolecular Structure and Dynamics, 2002
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Vibrational Analysis of Benziodoxoles and Benziodazolotetrazoles
Elfi Kraka
2021
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A quantum-chemical investigation on 3 , 4 '-bi ( 4 Hl , 2 , 4-triazole )
Necdet Saltek
2017
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Electron Transfer Mechanism of Substituted Benzimidazoles: Dimer Switching, Oscillations and Search for Singlet Fission Properties
Nicolangelo Fanelli
The Journal of Physical Chemistry C, 2017
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3-Methylcarboxy-1H-indazole. Theoretical study of its formation via intramolecular aliphatic diazonium coupling and x-ray crystal structure
Rainer Glaser
Journal of Physical Organic Chemistry, 1993
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A quantum-chemical study on bi(1,2,3-triazole) molecule
Necdet Saltek
Indian Journal of Chemistry Section B-organic Chemistry Including Medicinal Chemistry, 1999
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A Theoretical Study on the Stability, Reactivity and Protonic Affinity of 2-Phenylbenzothiazole Derivatives
Yapo Denis YAPO
Modern Chemistry, 2019
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Acidity and Basicity of Indazole and its N-Methyl Derivatives in the Ground and in the Excited State
Javier Gomez
The Journal of Physical Chemistry, 1994
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The structure and spectroscopy of H-bonded benzoxazole derivatives
Janusz Lipkowski
Journal of Molecular Structure, 1990
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Tautomerism and aromaticity in 1,2,3-triazoles: the case of benzotriazole
lucia santos
Journal of the American Chemical Society, 1989
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N-Trihalomethyl derivatives of benzimidazole, benzotriazole and indazole
Kirill Petko
Journal of Fluorine Chemistry, 2000
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Benzazoles XIII—determination of the E and Z configuration of isomeric 2‐(2‐benzimidazolyl)‐di‐ and ‐tetra‐hydrothiophenes by IR, 1H and 13C NMR spectroscopy
Pál Miklós Sohár
Organic Magnetic Resonance, 1980
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A QUANTUM CHEMICAL INVESTIGATION OF N 1 -SUBSTITUTED 1,2,4-TRIAZOLE
Mirjana S. Jankulovska
RAD Proceedings, 2018
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A survey of the lone pair effect on the ring geometry of 1,2,4-triazoles and analogous 1,2,3-triazoles and imidazoles
Alajos Kalman
Journal of Molecular Structure, 1983
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Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations of 2-(p-nitrobenzyl) benzoxazole
Esin Aki
Journal of Molecular Structure, 2013
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Structure, vibrational analysis, electronic properties and chemical reactivity of two benzoxazole derivatives: Functional density theory study
Afaf Bouchoucha
Journal of Molecular Structure, 2016
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Structure−Activity Relationships among 2-Substituted 5,6-Dichloro-, 4,6-Dichloro-, and 4,5-Dichloro-1-[(2-hydroxyethoxy)methyl]- and -1-[(1,3-dihydroxy-2-propoxy)methyl]benzimidazoles
Praveen Kumar Siripuram
Journal of Medicinal Chemistry, 1996
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2-(4-methylpyridin-2-yl)-1 H -benzimidazole derivatives. Part I. X-Ray structural analysis
Claudia Barolo, Guido Viscardi, Pierluigi Quagliotto
Journal of Heterocyclic Chemistry, 2003
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The structure of halogeno-1,2,4-triazoles in the solid state and in solution
Elena Pinilla
New Journal of Chemistry, 2001
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Experimental and theoretical studies of the molecular structure of 1-(2-pyridinylmethyl)-2-methylbenzimidazole
Samuel P Hernández-Rivera
Journal of Molecular Structure, 2010
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Molecular structure and spectroscopic analysis of 1,4-Bis(1-methyl-2-benzimidazolyl)benzene; XRD, FT-IR, dispersive-Raman, NMR and DFT studies
Bilge Eren
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013
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Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties
Rifaat Hilal
Journal of Molecular Modeling, 2014
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