Information card for entry 2223801

Structure parameters

• Chemical name: 1-(5-Nitro-2-oxoindolin-3-ylidene)-4-<i>o</i>-tolylthiosemicarbazide methanol monosolvate
• Formula: C17 H17 N5 O4 S
• Calculated formula: C17 H17 N5 O4 S
• SMILES: S=C(N/N=C1/c2cc(N(=O)=O)ccc2NC1=O)Nc1c(cccc1)C.OC
• Title of publication: 1-(5-Nitro-2-oxoindolin-3-ylidene)-4-<i>o</i>-tolylthiosemicarbazide methanol monosolvate
• Authors of publication: Pervez, Humayun; Yaqub, Muhammad; Manzoor, Nazia; Tahir, M. Nawaz; Iqbal, M. Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2858
• a: 14.2485 ± 0.0005 Å
• b: 7.6986 ± 0.0003 Å
• c: 18.5937 ± 0.0006 Å
• α: 90°
• β: 119.847 ± 0.002°
• γ: 90°
• Cell volume: 1769.07 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes