Information card for entry 2222351

Structure parameters

• Chemical name: (<i>Z</i>)-1-[(3-Cyanophenyl)iminiomethyl]-2-naphtholate
• Formula: C18 H12 N2 O
• Calculated formula: C18 H12 N2 O
• SMILES: [O-]c1c(/C=[NH+]/c2cc(ccc2)C#N)c2c(cc1)cccc2
• Title of publication: (<i>Z</i>)-1-[(3-Cyanophenyl)iminiomethyl]-2-naphtholate
• Authors of publication: Zhao, Yong-Feng; Xiong, Jin-Ping; Zuo, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1477
• a: 7.8943 ± 0.0016 Å
• b: 9.1356 ± 0.0018 Å
• c: 9.4933 ± 0.0019 Å
• α: 83.97 ± 0.03°
• β: 84.41 ± 0.03°
• γ: 82.5 ± 0.03°
• Cell volume: 672.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1682
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes