Information card for entry 8102325

Structure parameters

• Formula: C24 H25 N3 O3
• Calculated formula: C24 H25 N3 O3
• SMILES: O(c1c(c2c(cc1)cccc2)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1)C.OC
• Title of publication: Crystal structure of 4-1-(2-methoxynaphthalen-1-yl)-methylidene]amino-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one methanol solvate, C23H21N3O2 · CH3OH
• Authors of publication: Xiao-Yang Qiu; Xiu-Yun Ding; Mei-Rong Dong; Juan-Juan Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 407
• a: 10.958 ± 0.005 Å
• b: 8.185 ± 0.004 Å
• c: 24.354 ± 0.011 Å
• α: 90°
• β: 93.394 ± 0.007°
• γ: 90°
• Cell volume: 2180.5 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No