Information card for entry 2012982

Structure parameters

• Chemical name: (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene
• Formula: C13 H11 N3 O3
• Calculated formula: C13 H11 N3 O3
• SMILES: O(c1ccc(/N=N/c2ccc(N(=O)=O)cc2)cc1)C
• Title of publication: (<i>E</i>)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (<i>E</i>)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (<i>E</i>)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene
• Authors of publication: Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o624 - o628
• a: 6.153 ± 0.0012 Å
• b: 7.55 ± 0.0015 Å
• c: 13.683 ± 0.003 Å
• α: 100.8 ± 0.03°
• β: 102.68 ± 0.03°
• γ: 91.74 ± 0.03°
• Cell volume: 607.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes