Information card for entry 2228713

Structure parameters

• Chemical name: 2-[4-(2-Methoxyphenyl)piperazin-1-yl]-<i>N</i>-(pyridin-2-yl)acetamide
• Formula: C18 H22 N4 O2
• Calculated formula: C18 H22 N4 O2
• SMILES: COc1ccccc1N1CCN(CC1)CC(=O)Nc1ccccn1
• Title of publication: 2-[4-(2-Methoxyphenyl)piperazin-1-yl]-<i>N</i>-(pyridin-2-yl)acetamide
• Authors of publication: Lu, Chunxiong; Jiang, Quanfu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o223
• a: 11.595 ± 0.004 Å
• b: 12.382 ± 0.004 Å
• c: 14.073 ± 0.004 Å
• α: 106.228 ± 0.004°
• β: 91.767 ± 0.003°
• γ: 114.627 ± 0.002°
• Cell volume: 1738.2 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes