Information card for entry 2200112

Structure parameters

• Chemical name: 1-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholinium chloride monohydrate
• Formula: C15 H21 Cl2 N3 O4
• Calculated formula: C15 H21 Cl2 N3 O4
• SMILES: [NH+]1(CCOCC1)CC1OC(=O)N(C1)\N=C\c1ccc(Cl)cc1.[Cl-].O
• Title of publication: 4-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate
• Authors of publication: Bartczak, Tadeusz J.; Kruszynski, Rafal; Chilmonczyk, Zdzislaw; Cybulski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o341 - o343
• a: 7.122 ± 0.002 Å
• b: 8.809 ± 0.002 Å
• c: 15.178 ± 0.003 Å
• α: 95.98 ± 0.02°
• β: 99.34 ± 0.02°
• γ: 107.43 ± 0.02°
• Cell volume: 884.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No