We report the structure of the title compound, C 12 H 12 Cl 3 NO 2 , which belongs to a group of compounds called blue quinones. It is a remarkable near-IR dye with interest for non-linear optics. It crystallized in monoclinic space group P2 1 /a with one molecule in the asymmetric unit. The molecul
2,3,5-Trichloro-6-(4-methylpiperidin-1-yl)-1,4-benzoquinone: a synchrotron study
✍ Scribed by Bowes, Katharine F. ;Cole, Jacqueline M. ;Szablewski, Marek
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 167 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title compound, C 16 H 28 ClN 5 , the piperidine ring has a classical chair conformation. In the crystal structure, weak intermolecular N-HÁ Á ÁN hydrogen bonds link two molecules, related by a twofold axis of symmetry, into dimers.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.006 A Ê Disorder in main residue R factor = 0.059 wR factor = 0.114 Data-to-parameter ratio = 13.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the crystal structure of the title compound, C 8 H 10 Cl 2 N 4 ,stacking interactions are observed between the triazine rings. These interactions link the molecules into a dimer, packing along the a axis. The piperidine ring adopts a chair conformation.
The title compound, C~9~H~9~ClN~4~, was prepared from sodium borohydride and 3-(4-chlorophenyl)-6-methyl-1,2,4,5-tetrazine. The molecule can be considered to be homoaromatic. The tetrazine ring adopts an unsymmetrical boat conformation.