Information card for entry 7223538

Structure parameters

• Chemical name: 7-chloro-4-(4-methoxyphenyl)-1-methylindoline-2,3-dione
• Formula: C16 H12 Cl N O3
• Calculated formula: C16 H12 Cl N O3
• SMILES: Clc1ccc(c2C(=O)C(=O)N(c12)C)c1ccc(OC)cc1
• 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: 7.3328 ± 0.0003 Å
• b: 9.2003 ± 0.0004 Å
• c: 19.7779 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1334.3 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No