Information card for entry 2237627

Structure parameters

• Chemical name: 3-Amino-1-(4-fluorophenyl)-8-methoxy-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile
• Formula: C21 H15 F N2 O2
• Calculated formula: C21 H15 F N2 O2
• SMILES: Fc1ccc(C2c3c(OC(=C2C#N)N)ccc2cc(OC)ccc32)cc1
• Title of publication: 3-Amino-1-(4-fluorophenyl)-8-methoxy-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile
• Authors of publication: El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o476 - o477
• a: 8.9672 ± 0.0007 Å
• b: 10.4365 ± 0.0008 Å
• c: 10.9058 ± 0.0008 Å
• α: 103.063 ± 0.007°
• β: 106.859 ± 0.007°
• γ: 111.399 ± 0.008°
• Cell volume: 844.01 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes