Information card for entry 2220535

Structure parameters

• Chemical name: 2-Amino-4-(2-chlorophenyl)-5,10-dioxo-5,10-dihydro-4<i>H</i>- benzo[<i>g</i>]chromene-3-carbonitrile
• Formula: C20 H11 Cl N2 O3
• Calculated formula: C20 H11 Cl N2 O3
• SMILES: Clc1c(C2C(=C(OC3=C2C(=O)c2ccccc2C3=O)N)C#N)cccc1
• Title of publication: 2-Amino-4-(2-chlorophenyl)-5,10-dioxo-5,10-dihydro-4<i>H</i>-benzo[<i>g</i>]chromene-3-carbonitrile
• Authors of publication: Zhang, Jinpeng; Zhang, Xiaohong; Yan, Shu; Ma, Ning; Tu, Shujiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o5
• a: 8.3201 ± 0.001 Å
• b: 9.3729 ± 0.0012 Å
• c: 11.0081 ± 0.0016 Å
• α: 93.015 ± 0.001°
• β: 96.393 ± 0.001°
• γ: 110.732 ± 0.002°
• Cell volume: 793.95 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes