Information card for entry 2008039

Structure parameters

• Chemical name: O-Nitrobenzaldehyde isonicotinoylhydrazone
• Formula: C13 H10 N4 O3
• Calculated formula: C13 H10 N4 O3
• SMILES: c1(ccccc1/C=N/NC(=O)c1ccncc1)N(=O)=O
• Title of publication: <i>o</i>-Nitrobenzaldehyde Isonicotinoylhydrazone
• Authors of publication: Liu, Shu-Hua; Chen, Xiao-Feng; Xu, Yao-Hua; You, Xiao-Zeng; Chen, Wei; Arifin, Zainudin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1919 - 1921
• a: 7.486 ± 0.0004 Å
• b: 10.889 ± 0.001 Å
• c: 15.456 ± 0.001 Å
• α: 90°
• β: 94.916 ± 0.006°
• γ: 90°
• Cell volume: 1255.26 ± 0.16 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.145
• Weighted residual factors for significantly intense reflections: 0.127
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for significantly intense reflections: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No