Information card for entry 2205998

Structure parameters

• Common name: Nafimidone hemihydrate hemihydrochloride
• Chemical name: 3-methyl-1-[2-(2-naphthyloxy)ethyl]-1H-pyrazol-5-ol hydrochloride monohydrate
• Formula: C30 H27 Cl N4 O3
• Calculated formula: C30 H27 Cl N4 O3
• Title of publication: Nafimidone hemihydrate hemihydrochloride
• Authors of publication: Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1532 - o1533
• a: 9.171 ± 0.003 Å
• b: 9.428 ± 0.002 Å
• c: 16.783 ± 0.002 Å
• α: 77.19 ± 0.01°
• β: 75.44 ± 0.01°
• γ: 75.11 ± 0.01°
• Cell volume: 1338.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes