Information card for entry 7055216

Structure parameters

• Formula: C10 H8 Cl N3 O2
• Calculated formula: C10 H8 Cl N3 O2
• SMILES: Clc1c(N/N=C\2C(=NOC2=O)C)cccc1
• 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: 7.642 Å
• b: 7.933 Å
• c: 9.511 Å
• α: 98.77°
• β: 104.53°
• γ: 98.06°
• Cell volume: 541.945 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No