Information card for entry 2225984

Structure parameters

• Chemical name: (<i>E</i>)-1-[(2-Amino-5-nitrophenyl)iminiomethyl]naphthalen-2-olate
• Formula: C17 H13 N3 O3
• Calculated formula: C17 H13 N3 O3
• SMILES: [O-]c1c(/C=[NH+]/c2c(N)ccc(N(=O)=O)c2)c2c(cc1)cccc2
• Title of publication: (<i>E</i>)-1-[(2-Amino-5-nitrophenyl)iminiomethyl]naphthalen-2-olate
• Authors of publication: Farag, Abeer Mohamed; Teoh, Siang Guan; Osman, Hasnah; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1227 - o1228
• a: 10.369 ± 0.004 Å
• b: 4.6442 ± 0.0018 Å
• c: 28.539 ± 0.009 Å
• α: 90°
• β: 103.548 ± 0.012°
• γ: 90°
• Cell volume: 1336.1 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1092
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes