Information card for entry 7122206

Structure parameters

• Formula: C25 H23 Cl N2 O2
• Calculated formula: C25 H23 Cl N2 O2
• Title of publication: New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.
• Authors of publication: Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1891 - 1904
• a: 5.35 ± 0.004 Å
• b: 14.08 ± 0.011 Å
• c: 14.717 ± 0.011 Å
• α: 101 ± 0.03°
• β: 90.44 ± 0.03°
• γ: 97.24 ± 0.03°
• Cell volume: 1079 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.3659
• Residual factor for significantly intense reflections: 0.1973
• Weighted residual factors for significantly intense reflections: 0.3719
• Weighted residual factors for all reflections included in the refinement: 0.4426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No