Information card for entry 2232903

Structure parameters

• Chemical name: 4-[(4-Bromophenyl)diazenyl]-2-ethoxyaniline
• Formula: C14 H14 Br N3 O
• Calculated formula: C14 H14 Br N3 O
• SMILES: Brc1ccc(N=Nc2cc(OCC)c(N)cc2)cc1
• Title of publication: 4-[(4-Bromophenyl)diazenyl]-2-ethoxyaniline
• Authors of publication: Melardi, Mohammad Reza; Attar Gharamaleki, Jafar; Rezabeyk, Soheyla; Rofouei, Mohammad Kazem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3396
• a: 13.219 ± 0.002 Å
• b: 8.8289 ± 0.0017 Å
• c: 13.506 ± 0.002 Å
• α: 90°
• β: 118.855 ± 0.006°
• γ: 90°
• Cell volume: 1380.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes