Information card for entry 7062229

Structure parameters

• Common name: SS2-89F3
• Chemical name: (E)-4-methyl-N'-(1-methyl-2-oxoindolin-3-ylidene)-N-phenylbenzenesulfonohydrazide
• Formula: C22 H19 N3 O3 S
• Calculated formula: C22 H19 N3 O3 S
• SMILES: c12ccccc1/C(=N\N(c1ccccc1)S(=O)(=O)c1ccc(cc1)C)C(=O)N2C
• Title of publication: N–S bond cleavage of tosyl hydrazones by dual reactive arynes: synthesis of diaryl sulfones, spiro[indazole-3,3′-indolin]-2′-one, and N-phenyl sulfonohydrazides
• Authors of publication: Smile, Suresh Snoxma; Shanmugam, Ponnusamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 3856 - 3863
• a: 9.1555 ± 0.0006 Å
• b: 10.4074 ± 0.0007 Å
• c: 11.9079 ± 0.0007 Å
• α: 103.303 ± 0.002°
• β: 99.29 ± 0.002°
• γ: 112.822 ± 0.002°
• Cell volume: 977.2 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0846
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No