Information card for entry 2213289

Structure parameters

• Chemical name: 3-(5-Methylsulfanyl-1,3,4-thiadiazol-2-yldiazenyl)-1,2-methyl-1H-indole
• Formula: C13 H13 N5 S2
• Calculated formula: C13 H13 N5 S2
• SMILES: s1c(N=Nc2c3c(n(c2C)C)cccc3)nnc1SC
• Title of publication: 1,2-Dimethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]-1<i>H</i>-indole
• Authors of publication: Hökelek, Tuncer; Seferoğlu, Zeynel; Şahin, Ertan; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2263 - o2264
• a: 7.2739 ± 0.0002 Å
• b: 13.4818 ± 0.0002 Å
• c: 14.7373 ± 0.0004 Å
• α: 78.488 ± 0.004°
• β: 87.707 ± 0.005°
• γ: 85.551 ± 0.005°
• Cell volume: 1411.43 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes