Information card for entry 2237757

Structure parameters

• Chemical name: 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile
• Formula: C19 H14 F N3 O3
• Calculated formula: C19 H14 F N3 O3
• SMILES: C1(=C(C(C(=C(NC)O1)N(=O)=O)c1ccc(cc1)F)C#N)c1ccccc1
• Title of publication: 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile
• Authors of publication: Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o687 - o688
• a: 9.3898 ± 0.0003 Å
• b: 9.9752 ± 0.0003 Å
• c: 11.1324 ± 0.0003 Å
• α: 98.765 ± 0.001°
• β: 113.991 ± 0.001°
• γ: 109.52 ± 0.001°
• Cell volume: 846.09 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes