Information card for entry 2233063

Structure parameters

• Chemical name: (<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>- phenylhydrazinecarbothioamide
• Formula: C15 H11 Cl N4 O S
• Calculated formula: C15 H11 Cl N4 O S
• SMILES: S=C(N/N=C\1c2cc(Cl)ccc2NC1=O)Nc1ccccc1
• Title of publication: (<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamide
• 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: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3141 - o3142
• a: 5.7117 ± 0.0002 Å
• b: 17.951 ± 0.0007 Å
• c: 14.2455 ± 0.0005 Å
• α: 90°
• β: 91.262 ± 0.002°
• γ: 90°
• Cell volume: 1460.25 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes