Information card for entry 1550645

Structure parameters

• Chemical name: 1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide
• Formula: C22 H21 F N8 O
• Calculated formula: C22 H21 F N8 O
• SMILES: c1(ccc(cc1)n1c(c(C(=O)N/N=C(C)/c2c(C)n(c3ccc(cc3)C)nn2)nn1)C)F
• Title of publication: 1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide
• Authors of publication: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: x190261
• a: 12.2574 ± 0.001 Å
• b: 7.6912 ± 0.0008 Å
• c: 22.821 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes