Information card for entry 2231360

Structure parameters

• Chemical name: 1-Chloro-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
• Formula: C10 H11 Cl N2 O2
• Calculated formula: C10 H11 Cl N2 O2
• SMILES: ClC(=N\Nc1ccc(OC)cc1)/C(=O)C
• Title of publication: 1-Chloro-1-[(4-methoxyphenyl)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: o1961
• a: 5.8873 ± 0.0003 Å
• b: 25.0467 ± 0.001 Å
• c: 7.3041 ± 0.0003 Å
• α: 90°
• β: 99.016 ± 0.004°
• γ: 90°
• Cell volume: 1063.74 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes