Information card for entry 2238288

Structure parameters

• Chemical name: (<i>E</i>)-1-(3-Chlorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium
• Formula: C16 H11 Cl N2 O
• Calculated formula: C16 H11 Cl N2 O
• SMILES: Clc1cccc(c1)N/N=C1\C(=O)C=Cc2c1cccc2
• Title of publication: (<i>E</i>)-1-(3-Chlorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium
• Authors of publication: Benosmane, Ali; Mili, Assia; Bouguerria, Hassiba; Bouchoul, Abdelkader
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1021
• a: 16.34 ± 0.002 Å
• b: 5.7665 ± 0.0004 Å
• c: 15.632 ± 0.002 Å
• α: 90°
• β: 113.604 ± 0.004°
• γ: 90°
• Cell volume: 1349.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1204
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes