Information card for entry 2235253

Structure parameters

• Chemical name: 2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine- 3,5(2<i>H</i>,4<i>H</i>)-dione
• Formula: C17 H19 N3 O3
• Calculated formula: C17 H19 N3 O3
• Title of publication: 2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine-3,5(2<i>H</i>,4<i>H</i>)-dione
• Authors of publication: El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1776 - o1777
• a: 4.7924 ± 0.0006 Å
• b: 13.7083 ± 0.0019 Å
• c: 11.8293 ± 0.0015 Å
• α: 90°
• β: 101.538 ± 0.012°
• γ: 90°
• Cell volume: 761.43 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes