Information card for entry 2244138

Structure parameters

• Chemical name: 2-Azido-<i>N</i>-(4-fluorophenyl)acetamide
• Formula: C8 H7 F N4 O
• Calculated formula: C8 H7 F N4 O
• SMILES: Fc1ccc(NC(=O)CN=N#N)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-azido-<i>N</i>-(4-fluorophenyl)acetamide
• Authors of publication: Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 8
• Pages of publication: 855 - 859
• a: 10.8398 ± 0.0007 Å
• b: 19.0207 ± 0.0011 Å
• c: 9.3307 ± 0.0005 Å
• α: 90°
• β: 112.378 ± 0.002°
• γ: 90°
• Cell volume: 1778.93 ± 0.18 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: 0.065
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes