Information card for entry 7154256

Structure parameters

• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• Title of publication: Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.
• Authors of publication: Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2360 - 2365
• a: 5.3351 ± 0.0003 Å
• b: 10.0384 ± 0.0005 Å
• c: 15.6306 ± 0.0009 Å
• α: 106.562 ± 0.005°
• β: 98.033 ± 0.005°
• γ: 95.518 ± 0.004°
• Cell volume: 786.31 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.042
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No