Information card for entry 2228664

Structure parameters

• Chemical name: (2<i>Z</i>)-<i>N</i>-(4-Methoxyphenyl)-2-(4-methoxyphenylimino)-2<i>H</i>- 1,4-benzoxazin-3-amine
• Formula: C22 H19 N3 O3
• Calculated formula: C22 H19 N3 O3
• SMILES: COc1ccc(cc1)/N=C1/C(=Nc2c(O1)cccc2)Nc1ccc(cc1)OC
• Title of publication: (2<i>Z</i>)-<i>N</i>-(4-Methoxyphenyl)-2-(4-methoxyphenylimino)-2<i>H</i>-1,4-benzoxazin-3-amine
• Authors of publication: Mehrdad, Morteza; Ghanbari, Mohammad; Jadidi, Khosrow; Salemi, Amir; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o49
• a: 14.4225 ± 0.0014 Å
• b: 8.0836 ± 0.0005 Å
• c: 16.2749 ± 0.0014 Å
• α: 90°
• β: 107.263 ± 0.007°
• γ: 90°
• Cell volume: 1811.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1262
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes