Information card for entry 2220829

Structure parameters

• Formula: C18 H18 N4 O2
• Calculated formula: C18 H18 N4 O2
• SMILES: N#CCCC(CC)c1ccc(N=Nc2ccc(N(=O)=O)cc2)cc1
• Title of publication: 4-[4-(4-Nitrophenyldiazenyl)phenyl]hexanenitrile
• Authors of publication: Lu, Ran-zhe; Han, Lu-na; Zhang, Min; Wang, Bin; Wang, Hai-bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o344
• a: 20.113 ± 0.004 Å
• b: 10.59 ± 0.002 Å
• c: 7.682 ± 0.0015 Å
• α: 90°
• β: 94.78 ± 0.03°
• γ: 90°
• Cell volume: 1630.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes