Information card for entry 2236600

Structure parameters

• Chemical name: 4-[(2<i>E</i>)-2-(2-Hydroxybenzylidene)hydrazin-1-yl]benzonitrile
• Formula: C14 H11 N3 O
• Calculated formula: C14 H11 N3 O
• SMILES: Oc1c(/C=N/Nc2ccc(cc2)C#N)cccc1
• Title of publication: 4-[(2<i>E</i>)-2-(2-Hydroxybenzylidene)hydrazin-1-yl]benzonitrile
• Authors of publication: Mohamed, Shaaban K.; Bogdanović, Goran A.; Abdelhamid, Antar A.; Novaković, Sladjana B.; Potgeiter, Herman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2886 - o2887
• a: 8.1917 ± 0.0007 Å
• b: 11.6406 ± 0.0007 Å
• c: 13.4445 ± 0.0008 Å
• α: 103.006 ± 0.005°
• β: 104.387 ± 0.006°
• γ: 96.426 ± 0.006°
• Cell volume: 1190.67 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes