Information card for entry 2243748

Structure parameters

• Chemical name: 3-(2,3-Dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide
• Formula: C20 H19 N3 O2
• Calculated formula: C20 H19 N3 O2
• SMILES: O=C(N/N=C/c1occc1)c1c(Nc2c(c(ccc2)C)C)cccc1
• Title of publication: Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide
• Authors of publication: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 3
• Pages of publication: 242 - 246
• a: 13.8467 ± 0.0003 Å
• b: 15.8409 ± 0.0003 Å
• c: 8.0225 ± 0.0002 Å
• α: 90°
• β: 104.814 ± 0.001°
• γ: 90°
• Cell volume: 1701.2 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes