Information card for entry 2241404

Structure parameters

• Chemical name: 2-Amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>g</i>]chromene-3-carbonitrile
• Formula: C21 H16 N2 O2
• Calculated formula: C21 H16 N2 O2
• SMILES: O1C(=C(C(c2ccc3ccccc3c12)c1ccc(OC)cc1)C#N)N
• Title of publication: Crystal structure of 2-amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>g</i>]chromene-3-carbonitrile
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1017 - o1018
• a: 6.3833 ± 0.0002 Å
• b: 10.6009 ± 0.0003 Å
• c: 13.0915 ± 0.0004 Å
• α: 108.823 ± 0.002°
• β: 95.906 ± 0.002°
• γ: 97.467 ± 0.002°
• Cell volume: 821.44 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes