Information card for entry 7223539

Structure parameters

• Chemical name: 7-chloro-1-methyl-4-(4-tolyl)indoline-2,3-dione
• Formula: C16 H12 Cl N O2
• Calculated formula: C16 H12 Cl N O2
• SMILES: Clc1c2N(C(=O)C(=O)c2c(cc1)c1ccc(cc1)C)C
• Title of publication: Regioselective Suzuki‒Miyaura reactions of 4,7-dichloro-N-methylisatin. Synthesis, anti-HIV activity and modeling study
• Authors of publication: Hamdy, Aws M.; Al-Masoudi, Najim A.; Pannecouque, Christophe; Rahman, Qamar; Villinger, Alexander; Langer, Peter
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 130
• Pages of publication: 107360
• a: 3.8951 ± 0.0006 Å
• b: 24.185 ± 0.003 Å
• c: 13.5874 ± 0.0017 Å
• α: 90°
• β: 93.733 ± 0.007°
• γ: 90°
• Cell volume: 1277.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1686
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No