Information card for entry 2232919

Structure parameters

• Chemical name: 3-(2-Ethoxyphenyl)-1-(3-nitrophenyl)triaz-1-ene
• Formula: C14 H14 N4 O3
• Calculated formula: C14 H14 N4 O3
• SMILES: O(CC)c1c(NN=Nc2cc(N(=O)=O)ccc2)cccc1
• Title of publication: 3-(2-Ethoxyphenyl)-1-(3-nitrophenyl)triaz-1-ene
• Authors of publication: Melardi, Mohammad Reza; Ghannadan, Atefeh; Peyman, Mitra; Bruno, Giuseppe; Amiri Rudbari, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3485
• a: 6.7754 ± 0.0004 Å
• b: 7.5482 ± 0.0004 Å
• c: 14.0467 ± 0.0007 Å
• α: 99.057 ± 0.003°
• β: 102.479 ± 0.002°
• γ: 90.192 ± 0.003°
• Cell volume: 692.14 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes