Information card for entry 7059694

Structure parameters

• Chemical name: MKII-249 F3
• Formula: C24 H19 N3 O2
• Calculated formula: C24 H19 N3 O2
• SMILES: c1ccccc1CN1C(=O)C(c2c1cccc2)(c1ccccc1)n1ccc(n1)O
• Title of publication: Diverse reactivity of isatin-based N,N′-cyclic azomethine imine dipoles with arynes: synthesis of 1′-methyl-2′-oxospiro [indene-1,3′-indolines] and 3-aryl-3-pyrazol-2-oxindoles
• Authors of publication: Meerakrishna, Ramakrishnan Suseela; Smile, Suresh Snoxma; Athira, Mohanakumaran; Choutipalli, Venkata Surya Kumar; Shanmugam, Ponnusamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 11593 - 11601
• a: 12.1075 ± 0.0009 Å
• b: 15.3568 ± 0.0012 Å
• c: 10.8188 ± 0.0007 Å
• α: 90°
• β: 104.326 ± 0.003°
• γ: 90°
• Cell volume: 1949 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No