Information card for entry 2212763

Structure parameters

• Chemical name: 2-Chloro-N-methylacetamide
• Formula: C3 H6 Cl N O
• Calculated formula: C3 H6 Cl N O
• SMILES: C(C(=O)NC)Cl
• Title of publication: 2-Chloro-<i>N</i>-methylacetamide revisited: a low-temperature study
• Authors of publication: Sousa, Alvaro S. de; Marques, Helder M.; Fernandes, Manuel A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1642 - o1644
• a: 5.0911 ± 0.0003 Å
• b: 26.509 ± 0.0017 Å
• c: 7.4671 ± 0.0005 Å
• α: 90°
• β: 106.103 ± 0.002°
• γ: 90°
• Cell volume: 968.22 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes