Information card for entry 7713050

Structure parameters

• Formula: C19 H15 N5 O
• Calculated formula: C19 H15 N5 O
• SMILES: On1c(nc(c1C)c1nc(c2ncccc2)ccc1)c1ncccc1
• Title of publication: Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety
• Authors of publication: Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.245 ± 0.0002 Å
• b: 10.2741 ± 0.0004 Å
• c: 21.3089 ± 0.0007 Å
• α: 86.872 ± 0.001°
• β: 85.861 ± 0.001°
• γ: 86.489 ± 0.001°
• Cell volume: 1577.04 ± 0.09 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No