Information card for entry 2205623

Structure parameters

• Chemical name: 1,4-Bis(4-dimethylaminobenzyl)-2,3-diaza-1,3-butadiene
• Formula: C18 H22 N4
• Calculated formula: C18 H22 N4
• SMILES: CN(c1ccc(cc1)/C=N/N=C/c1ccc(cc1)N(C)C)C
• Title of publication: 1,4-Bis(4-dimethylaminobenzyl)-2,3-diaza-1,3-butadiene
• Authors of publication: Qing-Hua Wang; Guo-Cong Guo; Ming-Sheng Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1156 - o1157
• a: 8.232 ± 0.004 Å
• b: 6.065 ± 0.003 Å
• c: 16.71 ± 0.009 Å
• α: 90°
• β: 97.864 ± 0.006°
• γ: 90°
• Cell volume: 826.4 ± 0.7 ų
• Cell temperature: 292.15 K
• Ambient diffraction temperature: 292.15 K
• Number of distinct elements: 3
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes