Information card for entry 2204630

Structure parameters

• Common name: 2-nitrobenzaldehyde picoloylhydrazone
• Chemical name: 2-nitrobenzaldehyde (pyridine-2-carbonyl)hydrazone
• Formula: C13 H10 N4 O3
• Calculated formula: C13 H10 N4 O3
• SMILES: O=N(=O)c1c(cccc1)/C=N/NC(=O)c1ncccc1
• Title of publication: 2-Nitrobenzaldehyde picoloylhydrazone
• Authors of publication: Shao, Si-Chang; You, Zhong-Lu; Shao-Hua Fan; Tang, Lu-Lu; Xiong, Zhong-Duo; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2183 - o2184
• a: 12.191 ± 0.003 Å
• b: 9.398 ± 0.003 Å
• c: 21.624 ± 0.006 Å
• α: 90°
• β: 103.415 ± 0.004°
• γ: 90°
• Cell volume: 2409.9 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes