Information card for entry 1514339

Structure parameters

• Formula: C2.11 H2.39 N0.42 O0.7
• Calculated formula: C2.10526 H2.38596 N0.421053 O0.701754
• SMILES: O(C)c1ccc(NN=C2C(=O)CC(CC2=O)(C)C)c(N(=O)=O)c1
• 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: 23.38 ± 0.003 Å
• b: 6.969 ± 0.0007 Å
• c: 19.937 ± 0.003 Å
• α: 90°
• β: 110.851 ± 0.015°
• γ: 90°
• Cell volume: 3035.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No