Information card for entry 7125499

Structure parameters

• Common name: zopiclone dihydrate
• 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 dihydrate
• Formula: C17 H21 Cl N6 O5
• Calculated formula: C17 H21 Cl N6 O5
• 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: 16.374 ± 0.004 Å
• b: 7.03 ± 0.003 Å
• c: 17.185 ± 0.002 Å
• α: 90°
• β: 108.62 ± 0.01°
• γ: 90°
• Cell volume: 1874.6 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No