Information card for entry 2211984

Structure parameters

• Chemical name: 1,2-Dimethyl-3-(thiazol-2-yldiazenyl)-1H-indole
• Formula: C13 H12 N4 S
• Calculated formula: C13 H12 N4 S
• SMILES: s1c(N=Nc2c(n(c3ccccc23)C)C)ncc1
• Title of publication: 1,2-Dimethyl-3-(thiazol-2-yldiazenyl)-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: 1
• Pages of publication: o351 - o353
• a: 8.7257 ± 0.0002 Å
• b: 10.307 ± 0.0002 Å
• c: 14.4948 ± 0.0006 Å
• α: 83.828 ± 0.006°
• β: 88.489 ± 0.006°
• γ: 79.757 ± 0.005°
• Cell volume: 1275.35 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes