Information card for entry 2213929

Structure parameters

• Chemical name: 3-(6-Methoxybenzothiazol-2-yldiazenyl)-1-methyl-2-phenyl-1<i>H</i>-indole
• Formula: C23 H18 N4 O S
• Calculated formula: C23 H18 N4 O S
• SMILES: s1c(nc2ccc(OC)cc12)N=Nc1c2ccccc2n(c1c1ccccc1)C
• Title of publication: 3-(6-Methoxybenzothiazol-2-yldiazenyl)-1-methyl-2-phenyl-1<i>H</i>-indole
• Authors of publication: Hökelek, Tuncer; Seferoğlu, Zeynel; Şahin, Ertan; Kaynak, Filiz Betül
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2837 - o2839
• a: 7.3672 ± 0.0002 Å
• b: 17.9326 ± 0.0005 Å
• c: 15.0284 ± 0.0003 Å
• α: 90°
• β: 99.7 ± 0.02°
• γ: 90°
• Cell volume: 1957.06 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes