Information card for entry 4511351

Structure parameters

• Formula: C21 H15 F3 N2 O2
• Calculated formula: C21 H15 F3 N2 O2
• SMILES: O=C(Nc1c(F)c(NC(=O)c2ccccc2F)cc(c1)C)c1ccccc1F
• Title of publication: F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study
• Authors of publication: Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1490
• a: 4.8304 ± 0.0009 Å
• b: 12.954 ± 0.003 Å
• c: 14.672 ± 0.003 Å
• α: 105.165 ± 0.004°
• β: 90.387 ± 0.004°
• γ: 97.674 ± 0.004°
• Cell volume: 877.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No