Information card for entry 2233969

Structure parameters

• Chemical name: 1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene
• Formula: C18 H15 N5
• Calculated formula: C18 H15 N5
• SMILES: N(=C\c1cnccc1)/C(/N=C/c1cccnc1)c1cccnc1
• Title of publication: 1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene
• Authors of publication: Quiroa-Montalván, Claudia M.; Aguirre, Gerardo; Parra-Hake, Miguel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o746
• a: 5.7174 ± 0.0011 Å
• b: 8.0934 ± 0.001 Å
• c: 16.972 ± 0.004 Å
• α: 90°
• β: 99.69 ± 0.018°
• γ: 90°
• Cell volume: 774.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.216
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes