Information card for entry 2223535

Structure parameters

• Chemical name: yl)methylene]aniline
• Formula: C17 H13 Cl2 N3
• Calculated formula: C17 H13 Cl2 N3
• SMILES: Clc1n(nc(c1/C=N/c1ccc(Cl)cc1)C)c1ccccc1
• Title of publication: (<i>E</i>)-4-Chloro-<i>N</i>-[(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylene]aniline
• Authors of publication: Zhuang, Yu-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2424
• a: 13.6471 ± 0.0006 Å
• b: 15.6315 ± 0.0003 Å
• c: 7.3514 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1568.23 ± 0.15 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes