Information card for entry 2226045

Structure parameters

• Chemical name: 4-(3-Nitrophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
• Formula: C15 H11 N5 O3 S
• Calculated formula: C15 H11 N5 O3 S
• SMILES: S=C(N/N=C1\C(=O)Nc2c1cccc2)Nc1cc(N(=O)=O)ccc1
• Title of publication: 4-(3-Nitrophenyl)-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: o1405
• a: 18.5545 ± 0.001 Å
• b: 15.3852 ± 0.0008 Å
• c: 5.3367 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1523.44 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes