Information card for entry 2214121

Structure parameters

• Chemical name: 3-[5,6-Dimethyl-1,3-benzothiazol-2-yl)diazenyl]-1-methyl-2-phenyl- 1<i>H</i>-indole
• Formula: C24 H20 N4 S
• Calculated formula: C24 H20 N4 S
• SMILES: s1c(nc2c1cc(c(c2)C)C)N=Nc1c2ccccc2n(c1c1ccccc1)C
• Title of publication: 3-[5,6-Dimethyl-1,3-benzothiazol-2-yl)diazenyl]-1-methyl-2-phenyl-1<i>H</i>-indole
• Authors of publication: Hökelek, Tuncer; Seferoğlu, Zeynel; Şahin, Ertan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3170 - o3170
• a: 13.171 ± 0.005 Å
• b: 9.815 ± 0.002 Å
• c: 17.257 ± 0.004 Å
• α: 90°
• β: 112.31 ± 0.02°
• γ: 90°
• Cell volume: 2063.9 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes