Information card for entry 2203680

Structure parameters

• Chemical name: 5-(2-Chlorophenyl)-2-p-tolyl-1,3,4-thiadiazole
• Formula: C15 H11 Cl N2 S
• Calculated formula: C15 H11 Cl N2 S
• SMILES: Clc1c(c2sc(nn2)c2ccc(cc2)C)cccc1
• Title of publication: 5-(2-Chlorophenyl)-2-<i>p</i>-tolyl-1,3,4-thiadiazole
• Authors of publication: Huang, Huaming; Yu, Haitao; Chen, Peili; Meng, Jiben
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o881 - o883
• a: 13.968 ± 0.005 Å
• b: 14.602 ± 0.005 Å
• c: 15.271 ± 0.004 Å
• α: 90°
• β: 118.24 ± 0.02°
• γ: 90°
• Cell volume: 2744 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1571
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes