Information card for entry 2222257

Structure parameters

• Formula: C13 H10 Cl N3 O2
• Calculated formula: C13 H10 Cl N3 O2
• SMILES: Clc1ccc(c(c1)/C=N/NC(=O)c1cccnc1)O
• Title of publication: <i>N</i>'-(5-Chloro-2-hydroxybenzylidene)nicotinohydrazide
• Authors of publication: Ren, Chong-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1505 - o1506
• a: 9.792 ± 0.002 Å
• b: 23.358 ± 0.003 Å
• c: 10.926 ± 0.002 Å
• α: 90°
• β: 96.848 ± 0.002°
• γ: 90°
• Cell volume: 2481.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes