Information card for entry 8105926

Structure parameters

• Formula: C22 H22 N8 O2
• Calculated formula: C22 H22 N8 O2
• SMILES: c1(ccc(cc1)C)n1c(c(C(=O)NNC(=O)c2c(C)n(c3ccc(cc3)C)nn2)nn1)C
• Title of publication: 5-Methyl-N′-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide, C22H22N8O2
• Authors of publication: Aldosari, Obaid Fahad; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1027 - 1029
• a: 15.5175 ± 0.0005 Å
• b: 7.9715 ± 0.0003 Å
• c: 17.3941 ± 0.0005 Å
• α: 90°
• β: 90.005 ± 0.003°
• γ: 90°
• Cell volume: 2151.61 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No