Information card for entry 4031747

Structure parameters

• Common name: 2-cyano-3-(4-cholorophenyl)acrylamide
• Formula: C20 H10 Cl2 N4 O2
• Calculated formula: C20 H14 Cl2 N4 O2
• Title of publication: Tuning the Electronic Properties of 2-Cyano-3-phenylacrylamide Derivatives.
• Authors of publication: Gunasekar, Ramachandran; Thamaraiselvi, Pichandi; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer; Easwaramoorthi, Shanmugam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12351 - 12358
• a: 10.9514 ± 0.0008 Å
• b: 3.8752 ± 0.0003 Å
• c: 21.5656 ± 0.0016 Å
• α: 90°
• β: 92.972 ± 0.004°
• γ: 90°
• Cell volume: 913.99 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No