Information card for entry 7240347

Structure parameters

• Common name: aminoquinolina
• Chemical name: 2-((7-chloroquinolin-4-yl)amino)ethanol
• Formula: C11 H11 Cl N2 O
• Calculated formula: C11 H11 Cl N2 O
• SMILES: Clc1cc2nccc(NCCO)c2cc1
• Title of publication: Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines
• Authors of publication: Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 4.5838 ± 0.0002 Å
• b: 14.8986 ± 0.0007 Å
• c: 14.9416 ± 0.0007 Å
• α: 90°
• β: 93.484 ± 0.001°
• γ: 90°
• Cell volume: 1018.51 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No