Information card for entry 2224581

Structure parameters

• Chemical name: (<i>E</i>)-2-Hydroxy-6-[(4-propylphenyl)iminiomethyl]phenolate
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: CCCc1ccc(cc1)/[NH+]=C/c1cccc(c1[O-])O
• Title of publication: (<i>E</i>)-2-Hydroxy-6-[(4-propylphenyl)iminiomethyl]phenolate
• Authors of publication: Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o93
• a: 11.5743 ± 0.0004 Å
• b: 12.7635 ± 0.0004 Å
• c: 14.1706 ± 0.0005 Å
• α: 90.418 ± 0.003°
• β: 103.259 ± 0.003°
• γ: 95.54 ± 0.003°
• Cell volume: 2027.15 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0573
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes