Information card for entry 7250908

Structure parameters

• Formula: C17 H23 Cl N2 O2
• Calculated formula: C17 H23 Cl N2 O2
• Title of publication: Design and synthesis of N-substituted-2-butyl-4-chloro-1H-imidazole derivatives as potential ACE inhibitors: in vitro study, in-silico analysis, and a multifaceted CSD-supported crystallographic investigation
• Authors of publication: R., Manjunath; Rao, Ashwini; Mahesha,; A. H., Udaya Kumar; Acharya, Sudarshan; Udupa E. G., Padmanabha; Abdul Salam, Abdul Ajees; Hakkimane, Sushruta S.; B. S., Shashikala; N. K., Lokanath; Gaonkar, Santosh L.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 35077 - 35098
• a: 11.2517 ± 0.0005 Å
• b: 13.8607 ± 0.0006 Å
• c: 11.2925 ± 0.0007 Å
• α: 90°
• β: 94.92 ± 0.005°
• γ: 90°
• Cell volume: 1754.65 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No