Information card for entry 2237635

Structure parameters

• Chemical name: 5-Methyl-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide
• Formula: C18 H14 N6 O2
• Calculated formula: C18 H14 N6 O2
• SMILES: O=C(N/N=C/1C(=O)Nc2c1cccc2)c1nnn(c2ccccc2)c1C
• Title of publication: 5-Methyl-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide
• Authors of publication: Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o577
• a: 7.1835 ± 0.0008 Å
• b: 18.62 ± 0.002 Å
• c: 12.2949 ± 0.0011 Å
• α: 90°
• β: 101.676 ± 0.011°
• γ: 90°
• Cell volume: 1610.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1101
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1474
• 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: Yes