Information card for entry 2243234

Structure parameters

• Chemical name: 2-(4-Chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]-6-phenylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole
• Formula: C26 H19 Cl N4 S
• Calculated formula: C26 H19 Cl N4 S
• Title of publication: Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles
• Authors of publication: Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 18 - 24
• a: 16.456 ± 0.007 Å
• b: 10.42 ± 0.002 Å
• c: 26.391 ± 0.007 Å
• α: 90°
• β: 90.031 ± 0.012°
• γ: 90°
• Cell volume: 4525 ± 2 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 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: 0.0908
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes