Information card for entry 2023527

Structure parameters

• Chemical name: 5-Ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione
• Formula: C15 H19 N5 O S
• Calculated formula: C15 H19 N5 O S
• Title of publication: X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Authors of publication: Nizamuddin, Syed; Prasad, T. N. Mahadeva; Sreenatha, N. R.; Sharath, C. L.; Lakshminarayana, B. N.; Vishnumurthy, K. A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 9.728 ± 0.0008 Å
• b: 19.9593 ± 0.0015 Å
• c: 8.0087 ± 0.0006 Å
• α: 90°
• β: 93.23 ± 0.004°
• γ: 90°
• Cell volume: 1552.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No