Information card for entry 2237636

Structure parameters

• Chemical name: <i>N</i>'-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromen-2-yl]-<i>N</i>,<i>N</i>-dimethylmethanimidamide
• Formula: C24 H20 F N3 O2
• Calculated formula: C24 H20 F N3 O2
• SMILES: Fc1ccc(C2c3c(OC(=C2C#N)/N=C/N(C)C)c2ccccc2c(OC)c3)cc1
• Title of publication: <i>N</i>'-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromen-2-yl]-<i>N</i>,<i>N</i>-dimethylmethanimidamide
• Authors of publication: Al-dies, Al-anood M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; 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: o482 - o483
• a: 8.8438 ± 0.0008 Å
• b: 11.0887 ± 0.0012 Å
• c: 11.8001 ± 0.0013 Å
• α: 66.054 ± 0.01°
• β: 83.684 ± 0.008°
• γ: 75.946 ± 0.009°
• Cell volume: 1025.8 ± 0.2 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: 0.1047
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes