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Push‐Pull Butadienes: Evidence for a possible CH…︁S hydrogen bond in 4‐(methylthio)‐4‐nitro‐1‐(pyrrolidin‐1‐yl)buta‐1,3‐diene
Author(s) -
Surange Sheetal S.,
Kumaran Govindaraj,
Rajappa Srinivasachari,
Pal Debnath,
Chakrabarti Pinak
Publication year - 1997
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19970800805
Subject(s) - chemistry , diene , nitro , hydrogen bond , proton , stereochemistry , medicinal chemistry , crystallography , molecule , organic chemistry , alkyl , natural rubber , physics , quantum mechanics
X‐Ray crystal structure of 4‐(methylthio)‐4‐nitro‐1‐(pyrrolidin‐1‐yl)buta‐1,3‐diene ( 2b ) 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. indicates the presence of a CH…S hydrogen bond. This might also explain the observed downfield shift of this proton in solution.