Information card for entry 2218723

Structure parameters

• Chemical name: <i>N</i>-(4,5-diazafluoren-9-ylidene)aniline
• Formula: C17 H11 N3
• Calculated formula: C17 H11 N3
• SMILES: N(c1ccccc1)=C1c2cccnc2c2ncccc12
• Title of publication: <i>N</i>-(4,5-Diazafluoren-9-ylidene)aniline
• Authors of publication: Cang, Hui; Jin, Dong; Wang, Si-Qing; Liu, Shan; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1221
• a: 7.195 ± 0.0014 Å
• b: 8.586 ± 0.0017 Å
• c: 11.876 ± 0.002 Å
• α: 80.63 ± 0.03°
• β: 74.78 ± 0.03°
• γ: 66.46 ± 0.03°
• Cell volume: 647.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes