Information card for entry 2231361

Structure parameters

• Chemical name: 1-Chloro-1-[(4-chlorophenyl)hydrazinylidene]propan-2-one
• Formula: C9 H8 Cl2 N2 O
• Calculated formula: C9 H8 Cl2 N2 O
• SMILES: ClC(=N\Nc1ccc(Cl)cc1)/C(=O)C
• Title of publication: 1-Chloro-1-[(4-chlorophenyl)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: o1962
• a: 5.7558 ± 0.0004 Å
• b: 23.3282 ± 0.0017 Å
• c: 7.4107 ± 0.0006 Å
• α: 90°
• β: 96.976 ± 0.007°
• γ: 90°
• Cell volume: 987.69 ± 0.13 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: 0.0799
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes