Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetato)nickel(II)
✍ Scribed by Hu, Mao-Lin ;Wang, Wei-Dong
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 185 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.047 Data-to-parameter ratio = 7.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.010 A Ê R factor = 0.066 wR factor = 0.166 Data-to-parameter ratio = 10.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Figure 1 ORTEPII (Johnson, 1976) plot of (I); displacement ellipsoids are drawn at the 50% probability level. H atoms are drawn as spheres of arbitrary radii. [Symmetry code: (i) 1 À x, 1 À y, 1 À z.]
The title compound, C~26~H~26~N~2~O~7~, is a thiamidine derivative. Geometric parameters are in the usual ranges. The crystal packing is stabilized by a classical N—H...O hydrogen bond, several weak C—H...O hydrogen bonds and a π–π stacking interaction.
The tetrahydropyrimidine ring of the title molecule, C 11 H 11 FN 2 OS, adopts a half-chair conformation. In the crystal structure, the molecules are linked to form centrosymmetric hydrogen-bonded dimers.