Information card for entry 2206487

Structure parameters

• Chemical name: 2-Nitrobenzaldehyde 2-iodobenzoylhydrazone
• Formula: C14 H10 I N3 O3
• Calculated formula: C14 H10 I N3 O3
• SMILES: Ic1c(C(=O)NN=Cc2c(N(=O)=O)cccc2)cccc1
• Title of publication: 2-Nitrobenzaldehyde 2-iodobenzoylhydrazone
• Authors of publication: Glidewell, Christopher; Low, John N.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2438 - o2440
• a: 21.6122 ± 0.0008 Å
• b: 5.0393 ± 0.0002 Å
• c: 12.7868 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1392.61 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0535
• 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