Information card for entry 1551775

Structure parameters

• Formula: C14 H16 F N5 O3
• Calculated formula: C14 H16 F N5 O3
• SMILES: Fc1cc2C(=O)C(C(=O)NN)=CN(c2c(OC)c1NN)C1CC1
• Title of publication: Synthesis and Crystal Structure of 1-Cyclopropyl-6-fluoro-7-hydrozino-8-methoxyl-1,4-dihydro-4-oxo-3-quinoline carbohydrazide
• Authors of publication: XU, Zhi-hong; LI, Xue-feng; WANG, Hong-sheng
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 19
• a: 7.9062 ± 0.0009 Å
• b: 10.4189 ± 0.0012 Å
• c: 10.5347 ± 0.0012 Å
• α: 62.983 ± 0.002°
• β: 70.57 ± 0.002°
• γ: 76.828 ± 0.003°
• Cell volume: 726.01 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No