Information card for entry 2234494

Structure parameters

• Chemical name: (<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>- methylhydrazinecarbothioamide
• Formula: C10 H9 Cl N4 O S
• Calculated formula: C10 H9 Cl N4 O S
• SMILES: Clc1ccc2NC(=O)C(=N\NC(=S)NC)/c2c1
• Title of publication: (<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide
• Authors of publication: Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o964 - o965
• a: 6.2558 ± 0.0001 Å
• b: 10.1449 ± 0.0001 Å
• c: 18.5682 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1178.42 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes