Information card for entry 8106443

Structure parameters

• Formula: C7 H10 Cl2 N2 O2
• Calculated formula: C7 H10 Cl2 N2 O2
• Title of publication: Crystal Structure of 4-(2-chloroacetamido)pyridinium chloride monohydrate, C7H10Cl2N2O2
• Authors of publication: Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 91 - 92
• a: 9.8798 ± 0.0003 Å
• b: 13.9285 ± 0.0005 Å
• c: 7.3161 ± 0.0003 Å
• α: 90°
• β: 100.512 ± 0.003°
• γ: 90°
• Cell volume: 989.88 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0679
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No