Information card for entry 2224984

Structure parameters

• Chemical name: 1-[(<i>Z</i>)-(5-Methyl-2-pyridyl)iminiomethyl]-2-naphtholate
• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• SMILES: Cc1ccc(nc1)/[NH+]=C/c1c2ccccc2ccc1[O-]
• Title of publication: 1-[(<i>Z</i>)-(5-Methyl-2-pyridyl)iminiomethyl]-2-naphtholate
• Authors of publication: Liu, Xin-Yu; Fan, Yu-Hua; Wang, Qiang; Bi, Cai-Feng; Wang, Yu-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o309
• a: 4.8703 ± 0.0002 Å
• b: 9.5525 ± 0.0005 Å
• c: 14.0804 ± 0.0006 Å
• α: 90°
• β: 98.353 ± 0.002°
• γ: 90°
• Cell volume: 648.12 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes