Information card for entry 7246847

Structure parameters

• Chemical name: 6-chloro-1,2,3,4,9,10,11,12-octahydro- [1,4]-diazepine-[5,6,7-kl]-acridine monohydrochloride dihydrate
• Formula: C15 H21 Cl2 N3 O2
• Calculated formula: C15 H21 Cl2 N3 O2
• SMILES: Clc1cc2c3c(c4c([nH+]c3c1)CCCC4)NCCN2.[Cl-].O.O
• Title of publication: A tetrahydroacridine derivative and its conjugate with gold nanoparticles: promising agents for the treatment of Alzheimer's disease.
• Authors of publication: Mojzych, Ilona; Zawadzka, Anna; Kaczyńska, Katarzyna; Wojciechowski, Piotr; Zając, Dominika; Chotkowski, Maciej; Wiktorska, Katarzyna; Maurin, Jan K.; Mazur, Maciej
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 16796 - 16806
• a: 7.0963 ± 0.0005 Å
• b: 9.7638 ± 0.0007 Å
• c: 12.7882 ± 0.0007 Å
• α: 111.519 ± 0.006°
• β: 96.992 ± 0.005°
• γ: 92.865 ± 0.006°
• Cell volume: 813.85 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No