Information card for entry 2242929

Structure parameters

• Chemical name: <i>N</i>-(5-Iodo-4-phenylthiazol-2-yl)acetamide
• Formula: C11 H9 I N2 O S
• Calculated formula: C11 H9 I N2 O S
• SMILES: Ic1sc(NC(=O)C)nc1c1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>-(5-iodo-4-phenylthiazol-2-yl)acetamide
• Authors of publication: Herrera-España, Angel D.; Aguilera-González, Jesús; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 717 - 720
• a: 17.413 ± 0.0006 Å
• b: 7.5325 ± 0.0003 Å
• c: 18.5443 ± 0.0006 Å
• α: 90°
• β: 94.567 ± 0.001°
• γ: 90°
• Cell volume: 2424.61 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes