Information card for entry 2203087

Structure parameters

• Chemical name: 1-[N-(p-Hydroxyphenyl)aminomethylidene]naphthalen-2(1H)-one‒propan-1-ol (2/1)
• Formula: C37 H34 N2 O5
• Calculated formula: C37 H34 N2 O5
• SMILES: c1(c(ccc2ccccc12)[O-])\C=[NH+]/c1ccc(cc1)O.C(CC)O
• Title of publication: 1-[<i>N</i>-(<i>p</i>-Hydroxyphenyl)aminomethylidene]naphthalen-2(1<i>H</i>)-one propan-1-ol hemisolvate
• Authors of publication: Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o142 - o144
• a: 17.209 ± 0.0017 Å
• b: 8.9038 ± 0.0006 Å
• c: 19.9334 ± 0.0019 Å
• α: 90°
• β: 99.084 ± 0.008°
• γ: 90°
• Cell volume: 3016 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes