Information card for entry 2205519

Structure parameters

• Chemical name: 4-(2-Chloroethyl)morpholinium chloride
• Formula: C6 H13 Cl2 N O
• Calculated formula: C6 H13 Cl2 N O
• SMILES: O1CC[NH+](CC1)CCCl.[Cl-]
• Title of publication: 4-(2-Chloroethyl)morpholinium chloride
• Authors of publication: Rajenahally S. Narasegowda; Hemmige S. Yathirajan; Padmarajaiah Nagaraja; Daniel E. Lynch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o849 - o850
• a: 6.9876 ± 0.0003 Å
• b: 8.1549 ± 0.0004 Å
• c: 8.6495 ± 0.0003 Å
• α: 63.53 ± 0.002°
• β: 85.004 ± 0.003°
• γ: 85.179 ± 0.002°
• Cell volume: 438.96 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes