2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone
✍ Scribed by Krivokapic, Alexander ;Anderson, Harry L.
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 155 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
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 molecular structure is approximately planar and exhibits little bond-length alternation, indicating a high degree of charge-transfer from the amine lone pair to the quinone.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 120 K Mean '(C±C) = 0.005 A Ê R factor = 0.054 wR factor = 0.116 Data-to-parameter ratio = 13.5 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 = 150 K Mean '(N±C) = 0.003 A Ê R factor = 0.032 wR factor = 0.075 Data-to-parameter ratio = 18.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.