Information card for entry 7241737

Structure parameters

• Chemical name: 4-Aminoazobenzene;4,4'-Bipyridine
• Formula: C22 H19 N5
• Calculated formula: C22 H19 N5
• SMILES: Nc1ccc(/N=N/c2ccccc2)cc1.n1ccc(cc1)c1ccncc1
• Title of publication: Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
• Authors of publication: Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 46
• Pages of publication: 8045 - 8053
• a: 7.5794 ± 0.0004 Å
• b: 5.6975 ± 0.0003 Å
• c: 21.4258 ± 0.0009 Å
• α: 90°
• β: 97.914 ± 0.004°
• γ: 90°
• Cell volume: 916.43 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No