Information card for entry 2007885

Structure parameters

• Formula: C13 H12 N3 O2.5
• Calculated formula: C13 H12 N3 O2.5
• SMILES: Oc1ccccc1\C=N/NC(=O)c1ncccc1.O
• Title of publication: 2-(2-Hydroxybenzylidene)-1-(2-picoloyl)hydrazine Hemihydrate
• Authors of publication: Wang, Zuoxiang; Jian, Fangfang; Duan, Chunying; Bai, Zhiping; You, Xiaozeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1927 - 1929
• a: 11.8 ± 0.002 Å
• b: 16.538 ± 0.004 Å
• c: 12.565 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2452 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.227
• Weighted residual factors for significantly intense reflections: 0.16
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No