Information card for entry 7250289

Structure parameters

• Formula: C16 H15 N3 S
• Calculated formula: C16 H15 N3 S
• Title of publication: Design and development of sulfenylated 5-aminopyrazoles as inhibitors of acetylcholinesterase and butyrylcholinesterase: exploring the implication for Aβ1–42 aggregation inhibition in Alzheimer's disease
• Authors of publication: Rani, Payal; Chahal, Sandhya; Ranolia, Anju; Kiran,; Kumar, Devendra; Kataria, Ramesh; Kumar, Parvin; Singh, Devender; Duhan, Anil; Jha, Vibhu; Wahajuddin, Muhammad; Joshi, Gaurav; Sindhu, Jayant
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2025
• a: 11.7569 ± 0.001 Å
• b: 9.4089 ± 0.0009 Å
• c: 26.936 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2979.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1829
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.3321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No