Information card for entry 2023585

Structure parameters

• Chemical name: (Benzo[4,5]imidazo[2,1-<i>b</i>]thiazol-2-yl)(4-chlorophenyl)methanone
• Formula: C16 H9 Cl N2 O S
• Calculated formula: C16 H9 Cl N2 O S
• Title of publication: Crystal structure and Hirshfeld surface analysis of (benzo[4,5]imidazo[2,1-b]thiazol-2-yl)(4-chlorophenyl)methanone
• Authors of publication: Vishal, R.; Balaraman, Vignesh; Yamajala, Rajesh B. R. D.; Natarajan, Sampath
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 11
• a: 18.1878 ± 0.0018 Å
• b: 12.8058 ± 0.0013 Å
• c: 12.1917 ± 0.0011 Å
• α: 90°
• β: 90.115 ± 0.004°
• γ: 90°
• Cell volume: 2839.6 ± 0.5 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• 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: 0.1451
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No