Information card for entry 7246070

Structure parameters

• Chemical name: 2-(4-morpholinobenzylideneamino)phenol
• Formula: C17 H18 N2 O2
• Calculated formula: C17 H18 N2 O2
• SMILES: Oc1c(/N=C/c2ccc(N3CCOCC3)cc2)cccc1
• Title of publication: Exploring the antioxidant, antimicrobial, cytotoxic and biothermodynamic properties of novel morpholine derivative bio-active Mn(II), Co(II) and Ni(II) complexes - A combined experimental and theoretical measurements towards DNA/BSA/SARS-CoV-2 3CLpro
• Authors of publication: SAKTHIKUMAR, KARUNGANATHAN; Kabuyaya Isamura, Bienfait; Maçedo Krause, Rui Werner
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 14.8678 ± 0.0012 Å
• b: 7.571 ± 0.0006 Å
• c: 12.338 ± 0.0008 Å
• α: 90°
• β: 93.197 ± 0.002°
• γ: 90°
• Cell volume: 1386.65 ± 0.18 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No