Information card for entry 2215236

Structure parameters

• Chemical name: 6-Chloro-2'-(2-hydroxybenzylidene)nicotinohydrazide monohydrate
• Formula: C13 H12 Cl N3 O3
• Calculated formula: C13 H12 Cl N3 O3
• SMILES: Clc1ccc(C(=O)N\N=C\c2c(O)cccc2)cn1.O
• Title of publication: 6-Chloro-2'-(2-hydroxybenzylidene)nicotinohydrazide monohydrate
• Authors of publication: De-Suo Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3738 - o3738
• a: 28.125 ± 0.011 Å
• b: 3.8193 ± 0.0015 Å
• c: 12.281 ± 0.005 Å
• α: 90°
• β: 92.764 ± 0.005°
• γ: 90°
• Cell volume: 1317.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No