Information card for entry 2227440

Structure parameters

• Chemical name: <i>N</i>-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-4-nitro- <i>N</i>-(2-pyridyl)benzamide
• Formula: C25 H27 N5 O4
• Calculated formula: C25 H27 N5 O4
• SMILES: O(c1ccccc1N1CCN(CC1)CCN(c1ncccc1)C(=O)c1ccc(N(=O)=O)cc1)C
• Title of publication: <i>N</i>-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-4-nitro-<i>N</i>-(2-pyridyl)benzamide
• Authors of publication: Lu, Chunxiong; Jiang, Quanfu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2697
• a: 11.48 ± 0.002 Å
• b: 15.512 ± 0.003 Å
• c: 13.235 ± 0.002 Å
• α: 90°
• β: 108.505 ± 0.003°
• γ: 90°
• Cell volume: 2235 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0984
• 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