Information card for entry 2311293

Structure parameters

• Chemical name: 2-Amino-7-hydroxy-4-(4-hydroxyphenyl)-4<i>H</i>-chromene-3-carbonitrile
• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• SMILES: O1C(=C(C(c2ccc(O)cc12)c1ccc(O)cc1)C#N)N
• Title of publication: Crystal structure of 2-amino-7-hy-droxy-4-(4-hy-droxy-phen-yl)-4H-chromene-3-carbo-nitrile.
• Authors of publication: Horton, Peter N.; Akkurt, Mehmet; Mohamed, Shaaban K.; 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 8
• Pages of publication: o546 - 7
• a: 18.3084 ± 0.0013 Å
• b: 6.0743 ± 0.0004 Å
• c: 24.5339 ± 0.0017 Å
• α: 90°
• β: 106.471 ± 0.002°
• γ: 90°
• Cell volume: 2616.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No