Information card for entry 8107003

Structure parameters

• Formula: C18 H15 Cl F N3 O
• Calculated formula: C18 H15 Cl F N3 O
• Title of publication: Crystal structure of 4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one, C18H15ClFN3O
• Authors of publication: Aljohar, Haya I.; Ghabbour, Hazem A.; Al-Tamimi, Abdul-Malek S.; AlRabiah, Haitham; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 777 - 780
• a: 7.5459 ± 0.0003 Å
• b: 25.4267 ± 0.0009 Å
• c: 17.0478 ± 0.0006 Å
• α: 90°
• β: 91.718 ± 0.002°
• γ: 90°
• Cell volume: 3269.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1696
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No