Information card for entry 2311287

Structure parameters

• Chemical name: 2-Amino-4-phenyl-4<i>H</i>-benzo[<i>h</i>]chromene-3-carbonitrile
• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• SMILES: O1C(=C([C@H](c2ccc3ccccc3c12)c1ccccc1)C#N)N
• Title of publication: Crystal structure of 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbo-nitrile.
• Authors of publication: Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 7
• Pages of publication: o516 - 7
• a: 9.1662 ± 0.0001 Å
• b: 5.7246 ± 0.0001 Å
• c: 13.9177 ± 0.0002 Å
• α: 90°
• β: 90.153 ± 0.001°
• γ: 90°
• Cell volume: 730.298 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No