Information card for entry 2226643

Structure parameters

• Chemical name: 1-[(Phenyliminio)amino]-2-naphtholate
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: C1(=N\Nc2ccccc2)\C(=O)C=Cc2ccccc12
• Title of publication: 1-[(Phenyliminio)amino]-2-naphtholate
• Authors of publication: Xu, Ji-Jun; Li, Jun; Pi, Min; Jin, Chuan-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1752
• a: 27.8713 ± 0.0004 Å
• b: 6.0248 ± 0.0001 Å
• c: 14.9199 ± 0.0002 Å
• α: 90°
• β: 103.57 ± 0.002°
• γ: 90°
• Cell volume: 2435.4 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes