Information card for entry 2014672

Structure parameters

• Chemical name: 1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene
• Formula: C24 H18 N4
• Calculated formula: C24 H18 N4
• SMILES: c1ccc(cc1)C(=N/N=C(\c1ccncc1)c1ccccc1)/c1ccncc1
• Title of publication: 1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene: weak C—H···N and C—H···π hydrogen bonds
• Authors of publication: Gao, En-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o110 - o111
• a: 6.1251 ± 0.0012 Å
• b: 7.3258 ± 0.0015 Å
• c: 10.456 ± 0.002 Å
• α: 93.35 ± 0.03°
• β: 91.28 ± 0.03°
• γ: 96 ± 0.03°
• Cell volume: 465.62 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes