Information card for entry 2241231

Structure parameters

• Common name: Morpholin-4-ium cinnamate
• Chemical name: Morpholin-4-ium 3-phenylprop-2-enoate
• Formula: C13 H17 N O3
• Calculated formula: C13 H17 N O3
• SMILES: O=C([O-])/C=C/c1ccccc1.O1CC[NH2+]CC1
• Title of publication: Crystal structure of morpholin-4-ium cinnamate
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o850 - o851
• a: 5.7365 ± 0.0007 Å
• b: 9.7526 ± 0.001 Å
• c: 11.776 ± 0.0011 Å
• α: 103.27 ± 0.008°
• β: 93.468 ± 0.009°
• γ: 105.493 ± 0.01°
• Cell volume: 612.69 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes