Information card for entry 2234450

Structure parameters

• Chemical name: (<i>Z</i>)-2-(2-Oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamide
• Formula: C15 H12 N4 O S
• Calculated formula: C15 H12 N4 O S
• SMILES: S=C(N/N=C1/c2c(NC1=O)cccc2)Nc1ccccc1
• Title of publication: (<i>Z</i>)-2-(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: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o962 - o963
• a: 6.3674 ± 0.0001 Å
• b: 15.4594 ± 0.0003 Å
• c: 14.2199 ± 0.0003 Å
• α: 90°
• β: 93.383 ± 0.001°
• γ: 90°
• Cell volume: 1397.31 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes