Information card for entry 2237629

Structure parameters

• Chemical name: 3-Amino-1-(4-fluorophenyl)-7-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)ccc2ccc(OC)cc32)cc1
• Title of publication: 3-Amino-1-(4-fluorophenyl)-7-methoxy-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile
• Authors of publication: Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; 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: o478 - o479
• a: 8.7798 ± 0.0009 Å
• b: 9.6329 ± 0.0006 Å
• c: 10.913 ± 0.0011 Å
• α: 77.074 ± 0.007°
• β: 68.414 ± 0.01°
• γ: 87.083 ± 0.007°
• Cell volume: 835.99 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes