Information card for entry 2229911

Structure parameters

• Chemical name: (<i>E</i>)-1-[(4-nitrophenyl)iminiomethyl]naphthalen-2-olate
• Formula: C17 H12 N2 O3
• Calculated formula: C17 H12 N2 O3
• SMILES: O=C1\C(c2c(cccc2)C=C1)=C/Nc1ccc(N(=O)=O)cc1
• Title of publication: Zwitterionic (<i>E</i>)-1-[(4-nitrophenyl)iminiomethyl]naphthalen-2-olate
• Authors of publication: Damous, Maamar; Hamlaoui, Meriem; Bouacida, Sofiane; Merazig, Hocine; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1123 - o1124
• a: 8.0503 ± 0.0006 Å
• b: 12.8174 ± 0.0009 Å
• c: 13.1833 ± 0.001 Å
• α: 90°
• β: 97.271 ± 0.005°
• γ: 90°
• Cell volume: 1349.37 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1546
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes