Information card for entry 2311838

Structure parameters

• Chemical name: 6-(3,4-Dichlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole
• Formula: C10 H5 Cl2 N3 S
• Calculated formula: C10 H5 Cl2 N3 S
• SMILES: s1cnn2cc(nc12)c1cc(Cl)c(Cl)cc1
• Title of publication: Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.
• Authors of publication: Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 9
• Pages of publication: 920 - 926
• a: 5.5186 ± 0.0002 Å
• b: 7.5194 ± 0.0003 Å
• c: 12.8406 ± 0.0005 Å
• α: 102.027 ± 0.002°
• β: 91.293 ± 0.002°
• γ: 98.43 ± 0.002°
• Cell volume: 514.74 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No