Information card for entry 2228007

Structure parameters

• Chemical name: 3-Phenyldiazenyl-1,2-dimethyl-1<i>H</i>-indole
• Formula: C16 H15 N3
• Calculated formula: C16 H15 N3
• SMILES: n1(c(c(N=Nc2ccccc2)c2ccccc12)C)C
• Title of publication: 3-Phenyldiazenyl-1,2-dimethyl-1<i>H</i>-indole
• Authors of publication: Hökelek, Tuncer; Biçer, Nusret Tuna; Seferoğlu, Zeynel; Şahin, Ertan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2311
• a: 16.3442 ± 0.0003 Å
• b: 10.2713 ± 0.0002 Å
• c: 16.5312 ± 0.0003 Å
• α: 90°
• β: 104.264 ± 0.003°
• γ: 90°
• Cell volume: 2689.64 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes