Information card for entry 2239163

Structure parameters

• Common name: 1-(5-Chloro-2-oxoindolin-3-ylidene)thiosemicarbazone
• Chemical name: 2-(5-Chloro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
• Formula: C9 H7 Cl N4 O S
• Calculated formula: C9 H7 Cl N4 O S
• SMILES: NC(=S)N/N=C1\C(=O)Nc2c1cc(Cl)cc2
• Title of publication: 2-(5-Chloro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
• Authors of publication: Bittencourt, Viviane Conceição Duarte de; de Vicenti, Juliano Rosa; Velasques, Jecika Maciel; Zambiazi, Priscilla Jussiane; Gervini, Vanessa Carratu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o64 - o65
• a: 5.26 ± 0.005 Å
• b: 15.396 ± 0.01 Å
• c: 13.215 ± 0.009 Å
• α: 90°
• β: 96.53 ± 0.02°
• γ: 90°
• Cell volume: 1063.2 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes