Information card for entry 2012983

Structure parameters

• Chemical name: (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene
• Formula: C19 H20 Br N3 O
• Calculated formula: C19 H20 Br N3 O
• SMILES: BrCCCCCCOc1ccc(/N=N/c2ccc(cc2)C#N)cc1
• 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: 7.4279 ± 0.0018 Å
• b: 12.009 ± 0.003 Å
• c: 19.552 ± 0.005 Å
• α: 86.502 ± 0.005°
• β: 80.511 ± 0.005°
• γ: 87.604 ± 0.005°
• Cell volume: 1716.1 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.676
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes