Information card for entry 2232374

Structure parameters

• Chemical name: 1-[(4-{[(2-Oxo-1,2-dihydronaphthalen-1- ylidene)methyl]amino}anilino)methylidene]naphthalen-2(1<i>H</i>)-one dihydrate
• Formula: C28 H24 N2 O4
• Calculated formula: C28 H24 N2 O4
• SMILES: O=C1C=Cc2c(/C1=C/Nc1ccc(cc1)N/C=C1\C(=O)C=Cc3c1cccc3)cccc2.O.O
• Title of publication: 1-[(4-{[(2-Oxo-1,2-dihydronaphthalen-1-ylidene)methyl]amino}anilino)methylidene]naphthalen-2(1<i>H</i>)-one dihydrate
• Authors of publication: Blagus, Anita; Kaitner, Branko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2958 - o2959
• a: 17.4222 ± 0.0011 Å
• b: 4.4686 ± 0.0005 Å
• c: 15.9374 ± 0.001 Å
• α: 90°
• β: 116.3 ± 0.01°
• γ: 90°
• Cell volume: 1112.34 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1132
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes