Information card for entry 2200266

Structure parameters

• Common name: 5-morpholinemethyl-3-(4-fluoridebenzylideamin)-2-oxazolidinone
• Chemical name: 4-{3-[(4-Fluorobenzylidene)amino]-2-oxo-1,3-oxazolidin-5-ylmethyl}morpholine
• Formula: C15 H18 F N3 O3
• Calculated formula: C15 H18 F N3 O3
• SMILES: O=C1OC(CN1/N=C/c1ccc(cc1)F)CN1CCOCC1
• Title of publication: 4-{3-[(4-Fluorobenzylidene)amino]-2-oxo-1,3-oxazolidin-5-ylmethyl}morpholine
• Authors of publication: Kruszynski, Rafal; Bartczak, Tadeusz J.; Chilmonczyk, Zdzislaw; Cybulski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o386 - o388
• a: 6.4808 ± 0.0007 Å
• b: 9.9636 ± 0.0009 Å
• c: 12.2753 ± 0.0011 Å
• α: 91.6 ± 0.009°
• β: 101.048 ± 0.01°
• γ: 106.114 ± 0.012°
• Cell volume: 744.62 ± 0.14 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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: 0.0956
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes