Information card for entry 2233182

Structure parameters

• Common name: <i>N</i>-{2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethyl}phthalimide
• Formula: C16 H21 N3 O3
• Calculated formula: C16 H21 N3 O3
• SMILES: c12ccccc1C(=O)N(C2=O)CCN1CCN(CC1)CCO
• Title of publication: <i>N</i>-{2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethyl}phthalimide
• Authors of publication: Shao, Ying; An, Dong; Zhou, Mi; Liu, Li; Sun, Xiao-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o173
• a: 5.8109 ± 0.0006 Å
• b: 37.012 ± 0.004 Å
• c: 7.3537 ± 0.0008 Å
• α: 90°
• β: 95.634 ± 0.002°
• γ: 90°
• Cell volume: 1573.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes