Information card for entry 2221055

Structure parameters

• Common name: 3-[4-(3,4-dihydro-2<i>H</i>-1,3-benzoxazin-3-yl)phenyl]-3,4-dihydro-2<i>H</i>- 1,3-benzoxazine
• Chemical name: 3,3'-(<i>p</i>-Phenylene)bis(3,4-dihydro-2<i>H</i>-1,3-benzoxazine)
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: c1ccc2c(c1)CN(CO2)c1ccc(cc1)N1COc2c(C1)cccc2
• Title of publication: 3,3'-(<i>p</i>-Phenylene)bis(3,4-dihydro-2<i>H</i>-1,3-benzoxazine)
• Authors of publication: Ranjith, Sekaran; Thenmozhi, Sundar; Manikannan, Ramaiyan; Muthusubramanian, Shanmugam; Subbiahpandi, Arunachalathevar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o581
• a: 9.191 ± 0.005 Å
• b: 8.794 ± 0.004 Å
• c: 11.317 ± 0.005 Å
• α: 90°
• β: 113.9 ± 0.03°
• γ: 90°
• Cell volume: 836.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes