The orientations of NH 2 and CH 3 of the title compound, C 6 H 9 NO 2 , are mainly stabilized by N-HÁ Á ÁO and C-HÁ Á ÁO intramolecular hydrogen bonds, as well as intermolecular N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds.
Photophysical properties of 3-(9-anthrylmethyl) pentane-2,4-dione
✍ Scribed by Kawade, Vitthal; Kumbhar, Anupa; Sapre, Avinash; Kumbhar, Avinash
- Book ID
- 122939405
- Publisher
- Elsevier Science
- Year
- 2013
- Tongue
- English
- Weight
- 905 KB
- Volume
- 583
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean (C-C) = 0.002 A R factor = 0.061 wR factor = 0.165 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The intramolecular hydrogen bond, molecular structure and vibrational frequencies of a-paramethoxyphenyl acetylacetone have been investigated by means of high-level density functional theory (DFT) methods with different basis sets. The geometrical parameters results are compared to the experimental