Information card for entry 2214464

Structure parameters

• Chemical name: 1-Methyl-3-(5-methylthiazol-2-yldiazenyl)-2-phenyl-1H-indole
• Formula: C19 H16 N4 S
• Calculated formula: C19 H16 N4 S
• SMILES: s1c(ncc1C)N=Nc1c2ccccc2n(c1c1ccccc1)C
• Title of publication: 1-Methyl-3-(5-methylthiazol-2-yldiazenyl)-2-phenyl-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: 7
• Pages of publication: o3281 - o3282
• a: 9.2514 ± 0.0007 Å
• b: 9.2745 ± 0.0005 Å
• c: 11.0971 ± 0.0006 Å
• α: 106.259 ± 0.001°
• β: 106.542 ± 0.002°
• γ: 103.337 ± 0.002°
• Cell volume: 824.9 ± 0.09 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: 0.0733
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes