Information card for entry 2222112

Structure parameters

• Chemical name: 3-[3-(2-Pyridyl)-1<i>H</i>-pyrazol-1-yl]propanamide
• Formula: C11 H12 N4 O
• Calculated formula: C11 H12 N4 O
• SMILES: NC(=O)CCn1ccc(n1)c1ccccn1
• Title of publication: 3-[3-(2-Pyridyl)-1<i>H</i>-pyrazol-1-yl]propanamide
• Authors of publication: Huang, Feng; Jin, Bin; Zhang, Jian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1411
• a: 7.7446 ± 0.0015 Å
• b: 8.3517 ± 0.0017 Å
• c: 8.4804 ± 0.0017 Å
• α: 97.99 ± 0.03°
• β: 98.95 ± 0.03°
• γ: 90.4 ± 0.03°
• Cell volume: 536.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes