Information card for entry 2212422

Structure parameters

• Chemical name: 1-Methyl-2-phenyl-3-(5-ethyl-1,3,4-thiadiazol-2-yldiazenyl)-1H-indole
• Formula: C19 H17 N5 S
• Calculated formula: C19 H17 N5 S
• SMILES: s1c(N=Nc2c(n(c3ccccc23)C)c2ccccc2)nnc1CC
• Title of publication: 3-(5-Ethyl-1,3,4-thiadiazol-2-yldiazenyl)-1-methyl-2-phenyl-1<i>H</i>-indole
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o568 - o570
• a: 10.7629 ± 0.0014 Å
• b: 10.0115 ± 0.0008 Å
• c: 16.568 ± 0.002 Å
• α: 90°
• β: 99.664 ± 0.006°
• γ: 90°
• Cell volume: 1759.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.231
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes