Information card for entry 8102534

Structure parameters

• Chemical name: (E)-ethyl 3-(dichloro(2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylimino)methyl)phenoxy)stannyl)propanoate C~23~H~25~Cl~2~N~3O~4~Sn~1
• Formula: C23 H25 Cl2 N3 O4 Sn
• Calculated formula: C23 H25 Cl2 N3 O4 Sn
• SMILES: [Sn]12(Cl)(Cl)([O]=C3C([N]2=Cc2ccccc2O1)=C(N(N3c1ccccc1)C)C)CCC(=O)OCC
• Title of publication: Crystal structure of (E)-ethyl 3-(dichloro(2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylimino)methyl)phenoxy)stannyl)propanoate, SnCl2(C5H9O2)(C18H16N3O2)
• Authors of publication: Hao Hu; Shoukai Kang; Shaosong Qian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 621
• a: 10.371 ± 0.003 Å
• b: 10.721 ± 0.003 Å
• c: 12.615 ± 0.004 Å
• α: 109.698 ± 0.004°
• β: 97.556 ± 0.005°
• γ: 109.116 ± 0.004°
• Cell volume: 1200.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No