Information card for entry 2244108

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(4-methoxyphenyl)acetamide
• Formula: C9 H10 Cl N O2
• Calculated formula: C9 H10 Cl N O2
• SMILES: ClCC(=O)Nc1ccc(OC)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-chloro-<i>N</i>-(4-methoxyphenyl)acetamide
• Authors of publication: Missioui, Mohcine; Guerrab, Walid; Nchioua, Intissar; El Moutaouakil Ala Allah, Abderrazzak; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 7
• a: 10.0939 ± 0.0005 Å
• b: 9.6423 ± 0.0005 Å
• c: 10.2799 ± 0.0005 Å
• α: 90°
• β: 115.531 ± 0.002°
• γ: 90°
• Cell volume: 902.83 ± 0.08 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes