Information card for entry 1518322

Structure parameters

• Formula: C16 H17 N3 O2
• Calculated formula: C16 H17 N3 O2
• SMILES: O=C(N/N=C(c1c(O)cccc1)\CC)c1ccccc1N
• Title of publication: Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study
• Authors of publication: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 425
• Pages of publication: 36 - 45
• a: 11.4611 ± 0.0008 Å
• b: 8.8278 ± 0.0006 Å
• c: 28.757 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2909.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No