Information card for entry 2204771

Structure parameters

• Chemical name: N-(3-fluorophenyl)-9H-xanthen-9-ylideneamine
• Formula: C19 H12 F N O
• Calculated formula: C19 H12 F N O
• SMILES: O1c2ccccc2C(=Nc2cc(F)ccc2)c2ccccc12
• Title of publication: <i>N</i>-(3-Fluorophenyl)-9<i>H</i>-xanthen-9-ylideneamine
• Authors of publication: Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2376 - o2377
• a: 14.175 ± 0.003 Å
• b: 5.0634 ± 0.0009 Å
• c: 19.912 ± 0.003 Å
• α: 90°
• β: 102.794 ± 0.004°
• γ: 90°
• Cell volume: 1393.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes