Information card for entry 2238268

Structure parameters

• Chemical name: (<i>E</i>)-1-[2-(2-Cyanophenyl)diazen-2-ium-1-yl]naphthalen-2-olate
• Formula: C17 H11 N3 O
• Calculated formula: C17 H11 N3 O
• SMILES: N#Cc1ccccc1N/N=C1\C(=O)C=Cc2c1cccc2
• Title of publication: (<i>E</i>)-1-[2-(2-Cyanophenyl)diazen-2-ium-1-yl]naphthalen-2-olate
• Authors of publication: Bougueria, Hassiba; Benaouida, Mohamed Amine; Bouacida, Sofiane; el kader Bouchoul, Abd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1175 - o1176
• a: 7.1296 ± 0.0003 Å
• b: 12.9532 ± 0.0007 Å
• c: 15.6181 ± 0.0008 Å
• α: 111.562 ± 0.002°
• β: 90.536 ± 0.002°
• γ: 100.779 ± 0.002°
• Cell volume: 1312.92 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes