Information card for entry 2239610

Structure parameters

• Chemical name: <i>N</i>'-[(4<i>Z</i>)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide
• Formula: C22 H26 N4 O3 S
• Calculated formula: C22 H26 N4 O3 S
• SMILES: CCCCCC(=C1\C(=NN(C1=O)c1ccccc1)C)/NNS(=O)(=O)c1ccccc1
• Title of publication: <i>N</i>'-[(4<i>Z</i>)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide
• Authors of publication: Ukwueze, Nkechinyere N.; Ukoha, Pius O.; Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Groutso, Tania
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o730 - o731
• a: 10.8672 ± 0.0008 Å
• b: 14.0435 ± 0.001 Å
• c: 14.3584 ± 0.001 Å
• α: 90°
• β: 104.302 ± 0.004°
• γ: 90°
• Cell volume: 2123.4 ± 0.3 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes