Information card for entry 2222899

Structure parameters

• Chemical name: (<i>Z</i>)-1-(2,5-Dichloro-3-thienyl)ethanone semicarbazone
• Formula: C7 H7 Cl2 N3 O S
• Calculated formula: C7 H7 Cl2 N3 O S
• SMILES: Clc1sc(Cl)c(/C(=N/NC(=O)N)C)c1
• Title of publication: (<i>Z</i>)-1-(2,5-Dichloro-3-thienyl)ethanone semicarbazone
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Vijesh, A. M.; Hegde, Chitrakar; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1852 - o1853
• a: 13.0796 ± 0.0002 Å
• b: 10.4316 ± 0.0002 Å
• c: 14.4352 ± 0.0002 Å
• α: 90°
• β: 94.599 ± 0.001°
• γ: 90°
• Cell volume: 1963.21 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes