Information card for entry 2209246

Structure parameters

• Chemical name: Glyoxal 2-nitrophenylhydrazone
• Formula: C8 H7 N3 O3
• Calculated formula: C8 H7 N3 O3
• SMILES: c1(N/N=C/C=O)c(N(=O)=O)cccc1
• Title of publication: Glyoxal 2-nitrophenylhydrazone: a hydrogen-bonded chain of <i>R</i>~2~^2^(12) and <i>R</i>~4~^4^(24) rings
• Authors of publication: Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2204 - o2206
• a: 18.67 ± 0.004 Å
• b: 3.7723 ± 0.0004 Å
• c: 23.896 ± 0.005 Å
• α: 90°
• β: 96.429 ± 0.006°
• γ: 90°
• Cell volume: 1672.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.178
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes