Information card for entry 1517300

Structure parameters

• Formula: C15 H17 N3 O4
• Calculated formula: C15 H17 N3 O4
• SMILES: N(/N=C\1C(=O)CC(CC1=O)(C)C)c1c(N(=O)=O)cc(cc1)C
• Title of publication: Facile, cost effective synthesis and DFT-based studies of substituted aryl hydrazones of β-diketones: a new selective fluorescent chemosensor for Co2+
• Authors of publication: Subhasri, Annamalai; Anbuselvan, Chinnadurai
• Journal of publication: Analytical Methods
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 5596
• a: 21.628 ± 0.005 Å
• b: 6.8734 ± 0.0011 Å
• c: 21.792 ± 0.005 Å
• α: 90°
• β: 115.39 ± 0.03°
• γ: 90°
• Cell volume: 2926.6 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No