Information card for entry 2200188

Structure parameters

• Common name: morpholinyl tert-butyl urea
• Chemical name: N-tert-Butylmorpholine-4-carboxamide
• Formula: C9 H18 N2 O2
• Calculated formula: C9 H18 N2 O2
• SMILES: O=C(NC(C)(C)C)N1CCOCC1
• Title of publication: <i>N</i>-<i>tert</i>-Butylmorpholine-4-carboxamide
• Authors of publication: Kruszynski, Rafal; Bartczak, Tadeusz J.; Lach, Dariusz; Brandt, Krystyna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o273 - o275
• a: 16.909 ± 0.003 Å
• b: 6.525 ± 0.001 Å
• c: 9.622 ± 0.002 Å
• α: 90°
• β: 101.46 ± 0.03°
• γ: 90°
• Cell volume: 1040.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes