Information card for entry 2216427

Structure parameters

• Chemical name: N,N'-(m-Phenylenedimethylidyne)dianiline
• Formula: C20 H16 N2
• Calculated formula: C20 H16 N2
• SMILES: N(=C/c1cccc(c1)/C=N/c1ccccc1)\c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-(<i>m</i>-Phenylenedimethylidyne)dianiline
• Authors of publication: Li-Na Zhu; Shan Gao; Li-Hua Huo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4924 - o4924
• a: 7.7762 ± 0.0016 Å
• b: 10.301 ± 0.002 Å
• c: 10.744 ± 0.002 Å
• α: 79.79 ± 0.03°
• β: 78.85 ± 0.03°
• γ: 73.64 ± 0.03°
• Cell volume: 803.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes