Information card for entry 2222512

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(4-Fluorobenzylidene)hydrazinocarbonyl]-<i>N</i>- isopropylbenzamide
• Formula: C18 H18 F N3 O2
• Calculated formula: C18 H18 F N3 O2
• SMILES: C(=O)(c1c(C(=O)NC(C)C)cccc1)N/N=C/c1ccc(cc1)F
• Title of publication: (<i>E</i>)-2-[2-(4-Fluorobenzylidene)hydrazinocarbonyl]-<i>N</i>-isopropylbenzamide
• Authors of publication: Liu, Ming; Duan, Yousheng; Wang, Yi; Zhang, Wen-Xiong; Liu, Shangzhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1599
• a: 13.316 ± 0.003 Å
• b: 8.8904 ± 0.0018 Å
• c: 14.102 ± 0.003 Å
• α: 90°
• β: 91.1 ± 0.03°
• γ: 90°
• Cell volume: 1669.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes