Information card for entry 2013210

Structure parameters

• Chemical name: 2-Iodobenzaldehyde 2,4-dinitrophenylhydrazone
• Formula: C13 H9 I N4 O4
• Calculated formula: C13 H9 I N4 O4
• 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: 7.889 ± 0.0005 Å
• b: 8.1405 ± 0.0006 Å
• c: 12.176 ± 0.001 Å
• α: 83.876 ± 0.004°
• β: 83.679 ± 0.004°
• γ: 63.151 ± 0.003°
• Cell volume: 691.98 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes