Information card for entry 2228570

Structure parameters

• Chemical name: <i>N</i>'-(2,3-Dihydroxybenzylidene)isonicotinohydrazide
• Formula: C13 H11 N3 O3
• Calculated formula: C13 H11 N3 O3
• SMILES: O=C(c1ccncc1)N/N=C/c1cccc(c1O)O
• Title of publication: <i>N</i>'-(2,3-Dihydroxybenzylidene)isonicotinohydrazide
• Authors of publication: Tecer, Elif; Dege, Necmi; Zülfikaroğlu, Ayşin; Şenyüz, Nuray; Batı, Hümeyra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3369 - o3370
• a: 7.7781 ± 0.0002 Å
• b: 30.0719 ± 0.0008 Å
• c: 10.5116 ± 0.0003 Å
• α: 90°
• β: 101.551 ± 0.002°
• γ: 90°
• Cell volume: 2408.89 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes