Information card for entry 7125498

Structure parameters

• Common name: zopiclone
• Chemical name: (6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl) -4-methyl-1-piperazine carboxylate
• Formula: C17 H17 Cl N6 O3
• Calculated formula: C17 H17 Cl N6 O3
• Title of publication: Structural transformations in zopiclone.
• Authors of publication: Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2204 - 2205
• a: 5.5023 ± 0.0001 Å
• b: 8.7676 ± 0.0002 Å
• c: 35.5314 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.1 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No