A polarized, twisted, ethylene: structure of 3,3-bis(methylthio)-2-nitro-2-propene-1-nitrile, C5H6N2O2S2

Kamath, N. U.; Venkatesan, Κ.

doi:10.1107/s010827018400737x

Cited by 3 publications

(1 citation statement)

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“…The observed intramolecular distance of 2.736Å between O1 and S2 is longer compared to the average O⋅S distance [2.628Å] in these compounds. This O1-S2 nonbonded distance is also larger than that reported in N-[bis(methylthio)methylene]cinnamamide and 3,3-bis(methylthio)2-nitro-2-propene-1-nitrile structures [11,12]. The S1-C12 bond is in cis [C12-S1-C11-C10 = −8.9(3) ∘ ] conformation and S2-C13 in trans [C13-S2-C11-C10 = 177.8(3) ∘ ] with C11-C10.…”

Section: Resultscontrasting

confidence: 53%

Crystal and Molecular Structure of 1,1-Bis(methylthio)-5-(4-chlorophenyl)-1,4-pentadien-3-one

Gudennavar

Viswam

2014

Journal of Crystallography

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The 1,1-bis(methylthio)-5-(4-chlorophenyl)-1,4-pentadien-3-one compound crystallizes in the space group C2/c with unit cell parameters a=25.5763 Å, b=8.08863 Å, c=14.1452 Å, and β=108.6∘. The structure was solved by direct methods and refined to an R-factor of 0.0593. Due to the steric interaction between the two methyl groups, one of the methylthio groups is in cis conformation with C11–C10 double bond and the other is in trans conformation. The cinnamoyl group on the carbonyl carbon atom effects more delocalization of the electrons within the molecule so that the structure is highly conjugated and planar.

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Section: Resultscontrasting

confidence: 53%