Information card for entry 2019393

Structure parameters

• Chemical name: (<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine
• Formula: C17 H15 Cl N4
• Calculated formula: C17 H15 Cl N4
• SMILES: Cc1nn(c(c1/C=N/Nc1ccccc1)Cl)c1ccccc1
• Title of publication: (<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine: sheets built from π-stacked hydrogen-bonded chains
• Authors of publication: Trilleras, Jorge; Utria, Michael; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 216 - 219
• a: 11.773 ± 0.002 Å
• b: 9.9525 ± 0.0018 Å
• c: 13.76 ± 0.003 Å
• α: 90°
• β: 114.519 ± 0.01°
• γ: 90°
• Cell volume: 1466.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes