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RESEARCH PRODUCT
Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction.
Till OpatzHerbert MeierLars AndernachJacco Van De StreekTatiana Goreliksubject
DiffractionChemistryMetals and Alloys02 engineering and technologyCrystal structure010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesAtomic and Molecular Physics and Optics0104 chemical sciencesElectronic Optical and Magnetic MaterialsDipolesymbols.namesakeCrystallographyElectron diffractionX-ray crystallographyMaterials Chemistrysymbols0210 nano-technologySingle crystalPowder diffractionDebyedescription
The solid-state structure of star-shaped 2,4,6-tris{(E)-2-[4-(dimethylamino)-phenyl]ethenyl}-1,3,5-triazine is determined from a powder sample by exploiting the respective strengths of single-crystal three-dimensional electron diffraction and powder X-ray diffraction data. The unit-cell parameters were determined from single crystal electron diffraction data. Using this information, the powder X-ray diffraction data were indexed, and the crystal structure was determined from the powder diffraction profile. The compound crystallizes in a noncentrosymmetric space group,P212121. The molecular conformation in the crystal structure was used to calculate the molecular dipole moment of 3.22 Debye, which enables the material to show nonlinear optical effects.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-10-20 | Acta crystallographica Section B, Structural science, crystal engineering and materials |