Information card for entry 2200358

Structure parameters

• Common name: 5-morpholinemethyl-3-(4-fluoridebenzylideamin)-2-oxazolidinone chloride monohydrate
• Chemical name: 4-[3-(4-fluorobenzylidenamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate
• Formula: C15 H21 Cl F N3 O4
• Calculated formula: C15 H21 Cl F N3 O4
• SMILES: [NH+]1(CCOCC1)CC1OC(=O)N(C1)/N=C/c1ccc(cc1)F.[Cl-].O
• Title of publication: 4-[3-(4-Fluorobenzylideneamino)-2-oxo-1,3-oxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate
• 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: o469 - o471
• a: 8.957 ± 0.0009 Å
• b: 27.968 ± 0.003 Å
• c: 7.137 ± 0.001 Å
• α: 90°
• β: 104.82 ± 0.009°
• γ: 90°
• Cell volume: 1728.4 ± 0.4 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes