Information card for entry 2218876

Structure parameters

• Chemical name: 5-{2-[(2-Hydroxy-5- methylphenyl)(phenyl)methyleneamino]phenyliminomethyl}pyrrole-2-carbaldehyde
• Formula: C26 H21 N3 O2
• Calculated formula: C26 H21 N3 O2
• SMILES: O=Cc1[nH]c(/C=N/c2c(/N=C(c3c(O)ccc(c3)C)\c3ccccc3)cccc2)cc1
• Title of publication: 5-{2-[(2-Hydroxy-5-methylphenyl)(phenyl)methyleneamino]phenyliminomethyl}pyrrole-2-carbaldehyde
• Authors of publication: Liu, Ge; Wang, Jianhui; Guo, Liqin; Ruan, Wen-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1552
• a: 8.8299 ± 0.0018 Å
• b: 9.4816 ± 0.0019 Å
• c: 13.13 ± 0.003 Å
• α: 94.05 ± 0.03°
• β: 106.32 ± 0.03°
• γ: 94.88 ± 0.03°
• Cell volume: 1046 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes