Information card for entry 8107210

Structure parameters

• Chemical name: ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate
• Formula: C15 H12 N2 O4
• Calculated formula: C15 H12 N2 O4
• Title of publication: Crystal structure of ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate, C15H12N2O4
• Authors of publication: Guo, Chun-Mei; Chen, Sha; Chu, Mei-Jun; Wan, Min; Nie, Xu-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 767 - 768
• a: 5.4588 ± 0.0005 Å
• b: 29.629 ± 0.003 Å
• c: 8.1217 ± 0.0008 Å
• α: 90°
• β: 93.157 ± 0.001°
• γ: 90°
• Cell volume: 1311.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0417
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No