Information card for entry 2226281

Structure parameters

• Chemical name: 4-(3-Methoxyphenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
• Formula: C16 H14 N4 O2 S
• Calculated formula: C16 H14 N4 O2 S
• SMILES: C\1(=N\NC(=S)Nc2cc(ccc2)OC)c2ccccc2NC1=O
• Title of publication: 4-(3-Methoxyphenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
• Authors of publication: Pervez, Humayun; Iqbal, Mohammad S.; Saira, Naveeda; Yaqub, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1404
• a: 15.1793 ± 0.0005 Å
• b: 7.2473 ± 0.0002 Å
• c: 15.4764 ± 0.0005 Å
• α: 90°
• β: 111.179 ± 0.002°
• γ: 90°
• Cell volume: 1587.55 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes