Syntheses of N-substituted benzimidazolone derivatives: DFT calculations, Hirshfeld surface analysis, molecular docking studies and antibacterial activities
Abstract New benzimidazolone derivatives (2–5) were synthesized and characterized using
NMR and single crystal X-ray diffraction techniques. Along with the experimental data, the …
NMR and single crystal X-ray diffraction techniques. Along with the experimental data, the …
Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1H-1, 2, 3-triazol-5-yl) methyl]-2, 3-dihydro-1H-1, 3-benzodiazol-2-one …
A Saber, NK Sebbar, T Hökelek, M Labd Taha… - Structure …, 2020 - journals.iucr.org
In the title molecule, C24H21N5O· H2O, the dihydrobenzodiazole moiety is not quite planar,
while the whole molecule adopts a U-shaped conformation in which there is a close …
while the whole molecule adopts a U-shaped conformation in which there is a close …
1, 3-Bis (prop-2-ynyl)-1H-1, 3-benzimidazol-2 (3H)-one
Y Ouzidan, Y Kandri Rodi, JP Jasinski… - Structure …, 2011 - journals.iucr.org
In the title compound, C13H10N2O, the fused-ring system is essentially planar, the largest
deviation from the mean plane being 0.015 (1) Å. The two propynyl groups are nearly …
deviation from the mean plane being 0.015 (1) Å. The two propynyl groups are nearly …
Crystal structure of 5-chloro-1, 3-bis [2-(2-oxo-1, 3-oxazolidin-3-yl) ethyl]-1H-benzimidazol-2 (3H)-one
K Bouayad, Y Kandri Rodi, Y Ouzidan… - Structure …, 2015 - journals.iucr.org
In the title compound, C17H19ClN4O5, the benzimidazole fused-ring system is essentially
planar, the maximum deviation from the mean plane being 0.06 (1) Å. Both oxazolidine rings …
planar, the maximum deviation from the mean plane being 0.06 (1) Å. Both oxazolidine rings …
[HTML][HTML] 1-Benzyl-1H-benzimidazol-2 (3H)-one
Y Ouzidan, EM Essassi, SV Luis, M Bolte… - Structure …, 2011 - journals.iucr.org
The fused five-and six-membered rings in the title compound, C14H12N2O, are essentially
planar, the largest deviation from the mean plane being 0.023 (2) Å. The dihedral angle …
planar, the largest deviation from the mean plane being 0.023 (2) Å. The dihedral angle …
Crystal structure and hirshfeld surface analysis of 1-(prop-2-yn-1-yl)-2, 3-dihydro-1H-1, 3-benzodiazo-2-one
The dihydrobenzodiazolone skeleton of the title compound, C10H8N2O, is planar with the
prop-2-ynyl substituent rotated well out of this plane. In the crystal, the molecules are linked …
prop-2-ynyl substituent rotated well out of this plane. In the crystal, the molecules are linked …
1, 3-Dibenzyl-1H-benzimidazol-2 (3H)-one
Y Kandri Rodi, F Ouazzani Chahdi, EM Essassi… - Structure …, 2011 - journals.iucr.org
In the molecular structure of the title compound, C21H18N2O, the fused-ring system is
essentially planar, the largest deviation from the mean plane being 0.0121 (9) Å. The O atom …
essentially planar, the largest deviation from the mean plane being 0.0121 (9) Å. The O atom …
5-Nitro-1, 3-bis (prop-2-ynyl)-1H-1, 3-benzimidazol-2 (3H)-one
Y Kandri Rodi, K Misbahi, A El-Ghayoury… - Structure …, 2013 - journals.iucr.org
The title compound, C13H9N3O3, crystallizes with two identical but differently oriented
molecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the …
molecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the …
Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2, 3-dihydro-1H-1, 3-benzodiazol-1-yl] methyl}-3-(prop-1-en-2-yl)-2, 3-dihydro-1H-1, 3 …
A Saber, NK Sebbar, T Hökelek, B Hni, JT Mague… - Structure …, 2018 - journals.iucr.org
In the title compound, C21H20N4O2, the intramolecular C—H⋯ O hydrogen-bonded
benzodiazolone moieties are planar to within 0.017 (1) and 0.026 (1) Å, and are oriented at …
benzodiazolone moieties are planar to within 0.017 (1) and 0.026 (1) Å, and are oriented at …
SYNTHESIS OF VARIOUS BENZIMIDAZOLONE DERIVATIVES
Various heterocyclic systems containing benzimidazolone scaffold have been synthesized
using as starting materials substituted benzimidazol-2-ones prepared by condensation of …
using as starting materials substituted benzimidazol-2-ones prepared by condensation of …