Information card for entry 8107105

Structure parameters

• Formula: C16 H12 Cl2 N2 O2
• Calculated formula: C16 H12 Cl2 N2 O2
• Title of publication: Crystal structure of 2-amino-4-(2, 4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2
• Authors of publication: He, Lian-Man; Gao, Chuan-Yu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1079 - 1080
• a: 24.944 ± 0.003 Å
• b: 8.9007 ± 0.0008 Å
• c: 16.377 ± 0.0018 Å
• α: 90°
• β: 119.71 ± 0.01°
• γ: 90°
• Cell volume: 3158 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1602
• 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