Information card for entry 2237626

Structure parameters

• Chemical name: 2-Amino-4-(4-chlorophenyl)-4<i>H</i>-chromeno[8,7-<i>b</i>]pyridine-3-carbonitrile
• Formula: C19 H12 Cl N3 O
• Calculated formula: C19 H12 Cl N3 O
• SMILES: Clc1ccc(C2c3ccc4cccnc4c3OC(=C2C#N)N)cc1
• Title of publication: 2-Amino-4-(4-chlorophenyl)-4<i>H</i>-chromeno[8,7-<i>b</i>]pyridine-3-carbonitrile
• Authors of publication: Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Sabry, Nermien 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: o462 - o463
• a: 6.5311 ± 0.0008 Å
• b: 35.129 ± 0.003 Å
• c: 14.0903 ± 0.0014 Å
• α: 90°
• β: 101.74 ± 0.011°
• γ: 90°
• Cell volume: 3165.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.147
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes