Information card for entry 2231363

Structure parameters

• Chemical name: 1-Chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
• Formula: C10 H11 Cl N2 O
• Calculated formula: C10 H11 Cl N2 O
• SMILES: ClC(=N\Nc1ccc(cc1)C)/C(=O)C
• Title of publication: 1-Chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
• Authors of publication: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Zayed, Mohie E. M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1964
• a: 11.0572 ± 0.0003 Å
• b: 7.657 ± 0.0002 Å
• c: 12.4613 ± 0.0003 Å
• α: 90°
• β: 105.063 ± 0.003°
• γ: 90°
• Cell volume: 1018.79 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes