Information card for entry 2008820

Structure parameters

• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• SMILES: Nc1c(/N=C/c2c(O)ccc3ccccc23)cccc1
• Title of publication: An N···H—O intramolecular strong hydrogen bond in <i>N</i>-(2-aminophenyl)naphthaldimine
• Authors of publication: Govindasamy, L.; Velmurugan, D.; Rajendran, T.M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1368 - 1369
• a: 7.203 ± 0.001 Å
• b: 7.67 ± 0.002 Å
• c: 12.197 ± 0.002 Å
• α: 90°
• β: 99.1 ± 0.03°
• γ: 90°
• Cell volume: 665.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes