Information card for entry 1569865

Structure parameters

• Common name: Benzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate
• Chemical name: (<i>Z</i>)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate
• Formula: C17 H15 N3 O S2
• Calculated formula: C17 H15 N3 O S2
• SMILES: S(C(=S)N/N=C1\C(=O)Nc2c1cc(cc2)C)Cc1ccccc1
• Title of publication: (Z)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate
• Authors of publication: Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.; Mohammat, Mohd Fazli; Mohd Aluwi, Mohd Fadhlizil Fasihi; Jumali, Nor Saliyana
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• Pages of publication: x230782
• a: 6.5733 ± 0.0002 Å
• b: 8.0601 ± 0.0002 Å
• c: 15.828 ± 0.0004 Å
• α: 95.442 ± 0.002°
• β: 99.527 ± 0.002°
• γ: 90.36 ± 0.002°
• Cell volume: 823.09 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No