✦ LIBER ✦
An X-ray Crystallographic and Computational Study of Intermolecular Edge-to-Face Aromatic Interaction in Crystal Structure of exo [4+2]π Cycloadduct of Phencyclone and S-Allyl S-Methyl Dithiocarbonate
✍ Scribed by Yasuyuki Yoshitake; Hidetoshi Nakagawa; Masashi Eto; Kazunobu Harano
- Book ID
- 104202865
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- French
- Weight
- 142 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0040-4020
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✦ Synopsis
AbstractÐPhencyclone reacted with S-allyl S-methyl dithiocarbonate derived from the [3,3]-sigmatropic rearrangement of O-allyl S-methyl dithiocarbonate to give an 1:1 mixture of endo and exo [412]p cycloadducts. The single crystal X-ray analysis of the exo [412]p cycloadduct was performed. The molecules are linked together with the intermolecular edge-to-face interaction between the phenyl hydrogen atom and the phenanthrene ring. The PM3 calculation reproduced the structural feature of the molecular packing.