Crystal structure of (E)-1-(methylthio)-1-(4'-methoxyphenylamino)-2-nitroethene, C10H12N2O3S

A. Cousson, J.-M. Coustard
1999 Zeitschrift für Kristallographie - New Crystal Structures  
swer this question. X-ray analysis shows that the double bond C 1=C2 and Ν1, N2 and S1 are coplanar. The planar nitro group is slightly twisted out of the molecular plan (C1-C2-N2-02: 173.9°). The phenyl ring is twisted out of this plan with a torsion angle close to 75° around the Nl-Cl bond. The both phenyl ring and its methoxy group are coplanar together. The atoms N2-C2-C1-N1 are coplanar (torsion angle value 0.1 °) wich implies that the double bond is (£)-configured. The observed torsion
more » ... le C2-C1-N1-C4 (179.7°) indicates that Cl-Nl bond is in a s-cis conformation relatively to the MeS and PhNH groups. The X-ray structure of the title compound is in agreement with previous structural assumptions from its cationics species in superacid.
doi:10.1515/ncrs-1999-0434 fatcat:fqpbywaus5dunjr7fqumpl46ym