Information card for entry 8106756

Structure parameters

• Formula: C17 H12 Cl N3 O4
• Calculated formula: C17 H12 Cl N3 O4
• SMILES: Clc1ccc(C(=O)N/N=C\2c3c(N(C2=O)CC(=O)O)cccc3)cc1
• Title of publication: The crystal structure of (Z)-2-(3-(2-(4-chlorobenzoyl)hydrazono)-2-oxoindolin-1-yl) acetic acid, C17H12ClN3O4
• Authors of publication: Wang, Su; Liu, Han-Yu; Sun, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 1023 - 1024
• a: 6.8425 ± 0.0007 Å
• b: 14.1931 ± 0.0016 Å
• c: 17.0132 ± 0.0017 Å
• α: 90°
• β: 101.144 ± 0.003°
• γ: 90°
• Cell volume: 1621.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No