Information card for entry 2230591

Structure parameters

• Chemical name: (<i>E</i>)-1-[(2-Chloro-4-nitrophenylimino)methyl]naphthalen-2-ol
• Formula: C17 H11 Cl N2 O3
• Calculated formula: C17 H11 Cl N2 O3
• SMILES: Clc1c(/N=C/c2c(O)ccc3c2cccc3)ccc(N(=O)=O)c1
• Title of publication: (<i>E</i>)-1-[(2-Chloro-4-nitrophenylimino)methyl]naphthalen-2-ol
• Authors of publication: Wang, Juangang; Zhang, Jun; Yang, Peipei; Chen, Tiedan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1618
• a: 7.053 ± 0.0008 Å
• b: 12.8699 ± 0.0013 Å
• c: 15.7701 ± 0.0017 Å
• α: 90°
• β: 98.18 ± 0.001°
• γ: 90°
• Cell volume: 1416.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2069
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes