Push-Pull Butadienes: Evidence for a possible CH…S hydrogen bond in 4-(methylthio)-4-nitro-1-(pyrrolidin-1-yl)buta-1,3-diene
✍ Scribed by Sheetal S. Surange; Govindaraj Kumaran; Srinivasachari Rajappa; Debnath Pal; Pinak Chakrabarti
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- German
- Weight
- 377 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0018-019X
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✦ Synopsis
X-Ray crystal structure of 4-(methylthio)-4-nitro-l-(pyrrolidin-l-yl)buta-1,3-diene (2b) ') indicates the presence of a C-H . ' . S hydrogen bond. This might also explain the observed downfield shift of this proton in solution.
') The C-atoms of the butadiene chain have been numbered as shown in 1 and 2. These numbers have been retained throughout the discussion for the sake of clarity and consistency. *) Crystallographic data (excluding structure factors) for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Cenfre as supplementary publication No. CCDC-10/60. Copies of the data can be obtained, free of charge, on application to the director, CCDC, 12 Union Road, Cambridge