Information card for entry 2238798

Structure parameters

• Common name: 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone
• Chemical name: 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone
• Formula: C12 H16 N2 O2
• Calculated formula: C12 H16 N2 O2
• SMILES: CC(=O)N1CCN(CC1)c1ccc(cc1)O
• Title of publication: 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone
• Authors of publication: Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1671
• a: 6.13183 ± 0.00019 Å
• b: 12.0106 ± 0.0004 Å
• c: 14.8704 ± 0.0005 Å
• α: 90°
• β: 94.025 ± 0.003°
• γ: 90°
• Cell volume: 1092.46 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No