Information card for entry 2229120

Structure parameters

• Chemical name: <i>N</i>-[4-(2-Morpholinoethoxy)phenyl]acetamide monohydrate
• Formula: C14 H22 N2 O4
• Calculated formula: C14 H22 N2 O4
• SMILES: CC(=O)Nc1ccc(cc1)OCCN1CCOCC1.O
• Title of publication: <i>N</i>-[4-(2-Morpholinoethoxy)phenyl]acetamide monohydrate
• Authors of publication: Gurumoorthy, Anuradha; Gopalsamy, Vasuki; K, Ramamurthi.; Piplani, Poonam; Malik, Ruchi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o262
• a: 7.056 ± 0.0003 Å
• b: 10.2859 ± 0.0006 Å
• c: 10.7234 ± 0.0006 Å
• α: 87.572 ± 0.003°
• β: 73.326 ± 0.003°
• γ: 79.876 ± 0.003°
• Cell volume: 733.92 ± 0.07 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: 0.062
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes