Information card for entry 7057762

Structure parameters

• Chemical name: 2-((2-(4-chlorophenylhydrazone)methyl)quinolone
• Formula: C16 H11 Cl N3
• Calculated formula: C16 H12 Cl N3
• Title of publication: Structural characterization of a fluorescein hydrazone molecular switch with application towards logic gates
• Authors of publication: Villada, Juan D.; D’Vries, Richard F.; Macías, Mario; Zuluaga, Fabio; Chaur, Manuel N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 18050
• a: 8.2023 ± 0.0003 Å
• b: 7.1828 ± 0.0002 Å
• c: 23.2593 ± 0.0008 Å
• α: 90°
• β: 90.518 ± 0.001°
• γ: 90°
• Cell volume: 1370.28 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0442
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No