Information card for entry 8105175

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(1-(2-hydroxy-4-methoxyphenyl)ethylidene)\ isonicotinohydrazide
• Formula: C15 H15 N3 O3
• Calculated formula: C15 H15 N3 O3
• SMILES: c1cc(ccn1)C(=O)N/N=C(C)/c1c(cc(cc1)OC)O
• Title of publication: Crystal structure of (E)-N′-(1-(2-hydroxy-4-methoxyphenyl)ethylidene) isonicotinohydrazide, C15H15N3O3
• Authors of publication: Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 195 - 197
• a: 9.0752 ± 0.0002 Å
• b: 9.1969 ± 0.0002 Å
• c: 9.9519 ± 0.0002 Å
• α: 112.706 ± 0.0008°
• β: 92.4309 ± 0.0008°
• γ: 115.278 ± 0.0007°
• Cell volume: 671.16 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0413
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No