Information card for entry 2004476

Structure parameters

• Formula: C11 H11 N4 O2.5
• Calculated formula: C11 H11 N4 O2.5
• Title of publication: 5-(<i>p</i>-Anisidino)-4-cyano-2,3-dihydro-3-pyrazolone Hemihydrate, C~11~H~10~N~4~O~2~.0.5H~2~O
• Authors of publication: Capparelli, M. V.; Charris, J. E.; Domínguez, J. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 447 - 449
• a: 10.55 ± 0.02 Å
• b: 12.26 ± 0.02 Å
• c: 9.76 ± 0.02 Å
• α: 113.1 ± 0.1°
• β: 99.1 ± 0.2°
• γ: 99 ± 0.2°
• Cell volume: 1113 ± 4 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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 significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0389
• Goodness-of-fit parameter for significantly intense reflections: 1.574
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No