Information card for entry 2213570

Structure parameters

• Chemical name: 2-Hydroxy-5-nitrobenzaldehyde phenylhydrazone
• Formula: C13 H11 N3 O3
• Calculated formula: C13 H11 N3 O3
• SMILES: Oc1c(/C=N/Nc2ccccc2)cc(N(=O)=O)cc1
• Title of publication: 2-Hydroxy-5-nitrobenzaldehyde phenylhydrazone
• Authors of publication: Abdassalam Abdelhafiz Tameem; Abdussalam Salhin; Bahruddin Saad; Shea-Lin Ng; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2502 - o2502
• a: 12.9019 ± 0.0005 Å
• b: 7.9909 ± 0.0003 Å
• c: 12.5323 ± 0.0005 Å
• α: 90°
• β: 113.418 ± 0.002°
• γ: 90°
• Cell volume: 1185.63 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes