Information card for entry 2234594

Structure parameters

• Chemical name: <i>N</i>'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)(thiophen-2-yl)methylidene]benzohydrazide
• Formula: C22 H18 N4 O2 S
• Calculated formula: C22 H18 N4 O2 S
• SMILES: s1c(/C(=N/NC(=O)c2ccccc2)C2C(=O)N(NC=2C)c2ccccc2)ccc1
• Title of publication: <i>N</i>'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)(thiophen-2-yl)methylidene]benzohydrazide
• Authors of publication: Zhu, Hualing; Zhu, Jinhua; Bu, Luxia; Shi, Jun; Wang, Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1368 - o1369
• a: 13.562 ± 0.005 Å
• b: 16.729 ± 0.006 Å
• c: 17.258 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3915 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes