Information card for entry 8106841

Structure parameters

• Formula: C19 H20 N2 O4 S
• Calculated formula: C19 H20 N2 O4 S
• Title of publication: Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C19H20N2O4S
• Authors of publication: Meng-Xue, Wang; Zheng, Fang; Kai, Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 249 - 250
• a: 18.983 ± 0.004 Å
• b: 5.057 ± 0.001 Å
• c: 20.304 ± 0.004 Å
• α: 90°
• β: 106.1 ± 0.03°
• γ: 90°
• Cell volume: 1872.7 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No