Information card for entry 7056324

Structure parameters

• Formula: C19 H19 N3 O
• Calculated formula: C19 H19 N3 O
• SMILES: c1cccc(N2N(C(=C(/N=C/c3ccc(cc3)C)C2=O)C)C)c1
• Title of publication: Synthetic, Spectral and Structural Studies of a Schiff Base and its Anticorrosive Activity on Mild Steel in H2SO4
• Authors of publication: Kumar, Akshay; Trivedi, Manoj; Yadav, Bhaskaran; Sharma, Raj Kishore; Singh, Gurmeet
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 8459 - 8468
• a: 7.007 ± 0.0004 Å
• b: 17.952 ± 0.002 Å
• c: 26.4727 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3330 ± 0.5 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: 0.12
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No