Information card for entry 2231123

Structure parameters

• Common name: 1,3-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-(propane-1,3- diylidene)dihydroxylamine
• Chemical name: <i>N</i>-[1,3-bis(4-fluorophenyl)-3-(hydroxyimino)propylidene]hydroxylamine
• Formula: C15 H12 F2 N2 O2
• Calculated formula: C15 H12 F2 N2 O2
• SMILES: O/N=C(c1ccc(cc1)F)\CC(=N\O)/c1ccc(cc1)F
• Title of publication: 1,3-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-(propane-1,3-diylidene)dihydroxylamine
• Authors of publication: Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1954 - o1955
• a: 9.9233 ± 0.0007 Å
• b: 10.4236 ± 0.0006 Å
• c: 13.2422 ± 0.0011 Å
• α: 86.419 ± 0.006°
• β: 79.205 ± 0.007°
• γ: 89.932 ± 0.005°
• Cell volume: 1342.78 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes