Information card for entry 2237496

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenoxymethyl)-5-(4-methylphenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole
• Formula: C18 H13 Cl2 N3 O S
• Calculated formula: C18 H13 Cl2 N3 O S
• SMILES: Clc1c(OCc2sc3n(cc(c4ccc(cc4)C)n3)n2)ccc(Cl)c1
• Title of publication: 2-(2,4-Dichlorophenoxymethyl)-5-(4-methylphenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole
• Authors of publication: Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o377
• a: 8.3015 ± 0.0007 Å
• b: 8.3053 ± 0.0007 Å
• c: 14.4374 ± 0.0013 Å
• α: 97.18 ± 0.007°
• β: 92.644 ± 0.007°
• γ: 118.996 ± 0.009°
• Cell volume: 857.25 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes