Information card for entry 7055215

Structure parameters

• Formula: C10 H8 Cl N3 O2
• Calculated formula: C10 H8 Cl N3 O2
• SMILES: C1(=O)C(=N\Nc2cc(ccc2)Cl)/C(=NO1)C
• Title of publication: A family of substituted hydrazonoisoxazolones with potential biological properties
• Authors of publication: Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Zarate, Ximena; Schott, Eduardo
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2156
• a: 12.577 ± 0.003 Å
• b: 8.509 ± 0.008 Å
• c: 20.565 ± 0.006 Å
• α: 90°
• β: 102.9 ± 0.02°
• γ: 90°
• Cell volume: 2145 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No