Information card for entry 2242874

Structure parameters

• Chemical name: 2-(4-{2-[(2-Oxo-2<i>H</i>-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide
• Formula: C17 H19 N3 O5
• Calculated formula: C17 H19 N3 O5
• SMILES: c12ccccc1c(cc(=O)o2)OCC(=O)N1CCN(CC1)CC(=O)N
• Title of publication: The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and <i>N</i>-(2,4-dimethoxybenzyl)-2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetamide
• Authors of publication: Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 482 - 488
• a: 8.526 ± 0.0003 Å
• b: 8.8415 ± 0.0003 Å
• c: 11.9462 ± 0.0004 Å
• α: 88.66 ± 0.002°
• β: 69.568 ± 0.002°
• γ: 70.724 ± 0.002°
• Cell volume: 792.27 ± 0.05 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: 0.0444
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes