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3,3-Bis(methyl-sulfan-yl)-1-(4-nitro-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C11H11NO3S2, the S-Csp (2) bonds are shorter [1.746?(3) and 1.750?(2)?Å] than the S-CH3 bonds [1.794?(3) and 1.806?(3)?Å], which we attribute to d-? inter-actions between the S atoms and the C=C bond. The 1,1-bis-(methyl-sulfan-yl)-3-oxo-propyl-ene fragment and the 4-nitro-phenyl group are both almost planar, with the largest deviations from their mean planes being 0.053?(1) and 0.017?(2)?Å, respectively. The dihedral angle between the two planes is 35.07?(7)°. Mol-ecules in the crystal are linked into a three-dimensional network by C-H?S and C-H?O hydrogen bonds.

SUBMITTER: Yu GN

PROVIDER: S-EPMC3772470 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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3,3-Bis(methyl-sulfan-yl)-1-(4-nitro-phen-yl)prop-2-en-1-one.

Yu Guan-Neng GN Xia Jian-Hui JH Xu Zhao-Hui ZH Wang Li-Ben LB Yu Chu-Yi CY

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

In the title compound, C11H11NO3S2, the S-Csp (2) bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S-CH3 bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d-π inter-actions between the S atoms and the C=C bond. The 1,1-bis-(methyl-sulfan-yl)-3-oxo-propyl-ene fragment and the 4-nitro-phenyl group are both almost planar, with the largest deviations from their mean planes being 0.053 (1) and 0.017 (2) Å, respectively. The dihedral angle between the two planes is 35.07 (7)°. Mol-ecules ...[more]

PMID: 24046613

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