Information card for entry 2226449

Structure parameters

• Chemical name: 4-(3-Iodophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
• Formula: C15 H11 I N4 O S
• Calculated formula: C15 H11 I N4 O S
• SMILES: Ic1cc(NC(=S)N/N=C/2C(=O)Nc3ccccc23)ccc1
• Title of publication: 4-(3-Iodophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
• Authors of publication: Pervez, Humayun; Yaqub, Muhammad; Ramzan, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1629
• a: 5.762 ± 0.0003 Å
• b: 16.7989 ± 0.0011 Å
• c: 16.152 ± 0.001 Å
• α: 90°
• β: 100.153 ± 0.004°
• γ: 90°
• Cell volume: 1538.95 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1056
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes