Information card for entry 8102100

Structure parameters

• Chemical name: 4-((4-methoxy-benzylidene)-amino)-1,5-dimethl-2-phenyl-pyrazolidin-3-ol
• Formula: C19 H19 N3 O2
• Calculated formula: C19 H19 N3 O2
• SMILES: N(=C\c1ccc(OC)cc1)/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: Crystal structure of 4-((4-methoxy-benzylidene)-amino)-1,5-dimethyl- 2-phenylpyrazolidin-3-ol, C~19~H~19~N~3~O~2~
• Authors of publication: Li, Z.-X.; Fei, N.; Yuan, W.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 2
• Pages of publication: 133 - 134
• a: 7.139 ± 0.002 Å
• b: 24.886 ± 0.003 Å
• c: 9.473 ± 0.003 Å
• α: 90°
• β: 96.66 ± 0.002°
• γ: 90°
• Cell volume: 1671.6 ± 0.7 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: 0.0828
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No