Information card for entry 2102701

Structure parameters

• Chemical name: Morpholinium Chloride
• Formula: C4 H10 Cl N O
• Calculated formula: C4 H10 Cl N O
• SMILES: O1CC[NH2+]CC1.[Cl-]
• 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: 5.736 ± 0.0016 Å
• b: 10.618 ± 0.003 Å
• c: 10.142 ± 0.003 Å
• α: 90°
• β: 101.197 ± 0.005°
• γ: 90°
• Cell volume: 605.9 ± 0.3 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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: 0.0557
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9627
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes