Information card for entry 2007439

Structure parameters

• Formula: C17 H11 Cl2 N O
• Calculated formula: C17 H11 Cl2 N O
• SMILES: c1(cc(cc(c1)Cl)Cl)/N=C/c1c(ccc2c1cccc2)O
• Title of publication: <i>N</i>-(3,5-Dichlorophenyl)naphthaldimine
• Authors of publication: Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 974 - 976
• a: 4.741 ± 0.0009 Å
• b: 15.293 ± 0.005 Å
• c: 19.61 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1421.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.0954
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No