Information card for entry 2241856

Structure parameters

• Chemical name: 6-(4-Chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole-5-carbaldehyde
• Formula: C19 H14 Cl N3 O S
• Calculated formula: C19 H14 Cl N3 O S
• SMILES: s1c(nn2c1nc(c2C=O)c1ccc(Cl)cc1)Cc1ccc(C)cc1
• Title of publication: The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole-5-carbaldehyde
• Authors of publication: Sowmya, A.; Anil Kumar, G. N.; Kumar, Sujeet; Karki, Subhas S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1460 - 1462
• a: 5.6138 ± 0.0018 Å
• b: 9.018 ± 0.002 Å
• c: 16.514 ± 0.005 Å
• α: 80.533 ± 0.013°
• β: 87.519 ± 0.014°
• γ: 83.353 ± 0.014°
• Cell volume: 818.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes