Information card for entry 2241258

Structure parameters

• Chemical name: (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-5-phenyl-1-(<i>p</i>-tolyl)pent-2-en-4-yn-1-ylidene]hydrazine
• Formula: C24 H18 N4 O4
• Calculated formula: C24 H18 N4 O4
• SMILES: O=N(=O)c1c(N/N=C(\C=C\C#Cc2ccccc2)c2ccc(cc2)C)ccc(N(=O)=O)c1
• Title of publication: Crystal structure of (<i>E</i>)-1-(2,4-dinitrophenyl)-2-[(<i>E</i>)-5-phenyl-1-(<i>p</i>-tolyl)pent-2-en-4-yn-1-ylidene]hydrazine
• Authors of publication: Golovanov, Alexander A.; Vologzhanina, Anna V.; Voronova, Evgeniya D.; Bekin, Vadim V.; Naumov, Sergey V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o846 - o847
• a: 18.481 ± 0.0006 Å
• b: 6.1674 ± 0.0002 Å
• c: 19.2366 ± 0.0012 Å
• α: 90°
• β: 109.902 ± 0.005°
• γ: 90°
• Cell volume: 2061.63 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes