Information card for entry 2211935

Structure parameters

• Chemical name: N-(2-Thiazol-2-yl)cyclopropanecarboxamide
• Formula: C7 H8 N2 O S
• Calculated formula: C7 H8 N2 O S
• SMILES: s1c(NC(=O)C2CC2)ncc1
• Title of publication: <i>N</i>-(2-Thiazol-2-yl)cyclopropanecarboxamide
• Authors of publication: Li Tian; Bin Liu; Jing Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o273 - o274
• a: 5.707 ± 0.003 Å
• b: 9.17 ± 0.004 Å
• c: 15.453 ± 0.007 Å
• α: 90°
• β: 96.78 ± 0.005°
• γ: 90°
• Cell volume: 803 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes