Information card for entry 2239693

Structure parameters

• Chemical name: 1-(Morpholin-4-yl)-4-(2-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one
• Formula: C25 H21 N3 O5
• Calculated formula: C25 H21 N3 O5
• SMILES: O=C1N(N2CCOCC2)C(C21c1ccccc1Oc1ccccc21)c1c(N(=O)=O)cccc1
• Title of publication: 1-(Morpholin-4-yl)-4-(2-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Özdemir, Namık
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o772 - o773
• a: 9.4272 ± 0.0005 Å
• b: 18.8525 ± 0.0008 Å
• c: 12.4345 ± 0.0006 Å
• α: 90°
• β: 95.443 ± 0.004°
• γ: 90°
• Cell volume: 2199.97 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0799
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes