Information card for entry 7203895

Structure parameters

• Chemical name: N-2-Phenyl-3,1-Benzoxazine-4-Phenylimino
• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• SMILES: O1C(=Nc2ccccc2)c2ccccc2N=C1c1ccccc1
• Title of publication: New insights on the reaction of trialkyl phosphites with 2-phenyl-3-phenylimino-3H-indole N-oxide: an indolic nitrone. Crystal structures of 1-diethylphosphoryl-2-phenyl-3-phenylamino-1H-indole and 2-phenyl-4-phenylimino-4H-3,1-benzoxazine
• Authors of publication: Stefania Canestrari; Alexander Mar'in; Paolo Sgarabotto; Lara Righi; Lucedio Greci
• Journal of publication: J. Chem. Soc., Perkin Trans. 2
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 833 - 838
• a: 10.627 ± 0.002 Å
• b: 4.667 ± 0.002 Å
• c: 30.968 ± 0.003 Å
• α: 90 ± 0°
• β: 93 ± 0.1°
• γ: 90 ± 0°
• Cell volume: 1533.8 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.415
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: X
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No