Information card for entry 2014938

Structure parameters

• Chemical name: 1,3-Bis(4-methylphenyl)triazene
• Formula: C14 H15 N3
• Calculated formula: C14 H15 N3
• SMILES: N(N=Nc1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene
• Authors of publication: Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o303 - o305
• a: 14.4024 ± 0.0019 Å
• b: 4.8171 ± 0.0004 Å
• c: 17.84 ± 0.002 Å
• α: 90°
• β: 91.51 ± 0.011°
• γ: 90°
• Cell volume: 1237.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes