Information card for entry 4511348

Structure parameters

• Formula: C19 H13 F2 N3 O2
• Calculated formula: C19 H13 F2 N3 O2
• SMILES: Fc1c(NC(=O)c2nc(ccc2)C(=O)Nc2c(F)cccc2)cccc1
• 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: 14.384 ± 0.005 Å
• b: 4.9751 ± 0.0016 Å
• c: 22.709 ± 0.007 Å
• α: 90°
• β: 102.085 ± 0.006°
• γ: 90°
• Cell volume: 1589.1 ± 0.9 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: 0.1067
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No