Information card for entry 2239274

Structure parameters

• Chemical name: <i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide
• Formula: C7 H13 Cl N2 O2
• Calculated formula: C7 H13 Cl N2 O2
• SMILES: ClCCNC(=O)N1CCOCC1
• Title of publication: <i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide
• Authors of publication: Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Nicholson, Brian K.; Ukoha, Pius O.; Ukwueze, Nkechi N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o463
• a: 10.7393 ± 0.0008 Å
• b: 33.613 ± 0.003 Å
• c: 9.9942 ± 0.0007 Å
• α: 90°
• β: 95.704 ± 0.005°
• γ: 90°
• Cell volume: 3589.8 ± 0.5 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes