Information card for entry 2210410

Structure parameters

• Chemical name: N-(Pyridin-2)cyclopropanecarboxamide
• Formula: C9 H10 N2 O
• Calculated formula: C9 H10 N2 O
• SMILES: O=C(Nc1ncccc1)C1CC1
• Title of publication: <i>N</i>-(2-Pyridyl)cyclopropanecarboxamide
• Authors of publication: Li Tian; Bin Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4183 - o4185
• a: 9.475 ± 0.004 Å
• b: 9.844 ± 0.004 Å
• c: 36.821 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3434 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes