Information card for entry 7043639

Structure parameters

• Formula: C17 H17 N3 O2
• Calculated formula: C17 H17 N3 O2
• SMILES: c1ccc(C(=O)/C=C(C)\NNC(=O)c2ccccc2N)cc1
• Title of publication: Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species
• Authors of publication: Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.947 ± 0.002 Å
• b: 7.6029 ± 0.0014 Å
• c: 10.88 ± 0.002 Å
• α: 90°
• β: 116.24 ± 0.03°
• γ: 90°
• Cell volume: 738 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No