Information card for entry 2013977

Structure parameters

• Formula: C14 H12 N4 O3
• Calculated formula: C14 H12 N4 O3
• SMILES: C(=O)(C)c1ccc(cc1)N/N=N/c1ccc(N(=O)=O)cc1
• Title of publication: 3-(4-Acetylphenyl)-1-(4-nitrophenyl)triazene
• Authors of publication: Hörner, Manfredo; Brancher, Almir Luis; Silva, Angela; Bordinhao, Jairo; Mössmer, Cäcilia M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o303 - o304
• a: 14.357 ± 0.006 Å
• b: 7.1964 ± 0.0013 Å
• c: 26.779 ± 0.005 Å
• α: 90°
• β: 100.35 ± 0.04°
• γ: 90°
• Cell volume: 2721.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes