Information card for entry 2222974

Structure parameters

• Chemical name: (1<i>Z</i>)-1-(2,4-Dichlorophenyl)ethan-1-one semicarbazone
• Formula: C9 H9 Cl2 N3 O
• Calculated formula: C9 H9 Cl2 N3 O
• SMILES: Clc1ccc(c(Cl)c1)C(=N\NC(=O)N)\C
• Title of publication: (1<i>Z</i>)-1-(2,4-Dichlorophenyl)ethan-1-one semicarbazone
• Authors of publication: Fun, Hoong-Kun; Balasubramani, Kasthuri; Vijesh, A. M.; Malladii, Shridhar; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2072
• a: 37.8079 ± 0.0017 Å
• b: 3.8097 ± 0.0002 Å
• c: 14.492 ± 0.0007 Å
• α: 90°
• β: 98.852 ± 0.002°
• γ: 90°
• Cell volume: 2062.52 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes