Information card for entry 7244115

Structure parameters

• Common name: <i>N</i>-[2-(2,4-Dihydroxy-benzylidene-hydrazinocarbonyl)-phenyl]-benzamidemethanol solvate
• Chemical name: <i>N</i>-[2-(2,4-Dihydroxy-benzylidene-hydrazinocarbonyl)-phenyl]-benzamidemethanol solvate
• Formula: C22 H21 N3 O5
• Calculated formula: C22 H21 N3 O5
• SMILES: c1(c(cccc1)C(=O)N/N=C/c1c(cc(cc1)O)O)NC(=O)c1ccccc1.CO
• Title of publication: Design, synthesis, crystal structure, <i>in vitro</i> cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido) benzohydrazide derivatives as potent AChE and BChE inhibitors.
• Authors of publication: Kausar, Naghmana; Murtaza, Shahzad; Arshad, Muhammad Nadeem; Zaib Saleem, Rahman Shah; Asiri, Abdullah M.; Kausar, Samia; Altaf, Ataf Ali; Tatheer, Adina; Elnaggar, Ashraf Y.; El-Bahy, Salah M
• Journal of publication: RSC advances
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 154 - 167
• a: 8.6661 ± 0.0009 Å
• b: 11.0426 ± 0.0008 Å
• c: 12.2572 ± 0.0012 Å
• α: 108.672 ± 0.007°
• β: 102.099 ± 0.008°
• γ: 108.033 ± 0.008°
• Cell volume: 992.66 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No