Information card for entry 2013209

Structure parameters

• Chemical name: 2-Iodobenzaldehyde-4-nitrophenylhydrazone
• Formula: C13 H10 I N3 O2
• Calculated formula: C13 H10 I N3 O2
• SMILES: Ic1c(cccc1)/C=N/Nc1ccc(N(=O)=O)cc1
• Title of publication: A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone <i>versus</i> disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o98 - o101
• a: 24.0858 ± 0.0011 Å
• b: 5.0699 ± 0.0002 Å
• c: 10.508 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.16 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes