Information card for entry 2102696

Structure parameters

• Chemical name: morpholinium iodide
• Formula: C4 H10 I N O
• Calculated formula: C4 H10 I N O
• SMILES: [NH2+]1CCOCC1.[I-]
• Title of publication: Analysis of structures with saturated hydrogen bonding
• Authors of publication: Loehlin, James H.; Okasako, Elizabeth L. N.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: 132 - 141
• a: 6.6521 ± 0.0003 Å
• b: 10.4682 ± 0.0008 Å
• c: 10.259 ± 0.0004 Å
• α: 90°
• β: 98.703 ± 0.004°
• γ: 90°
• Cell volume: 706.17 ± 0.07 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.0204
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for all reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0192
• Weighted residual factors for all reflections included in the refinement: 0.0192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes