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Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate.

ABSTRACT: In the title compound, C(12)H(8)N(2)O(6), the 1,3-benzodioxole ring system is essentially planar [maximum deviation = 0.036?(2)?Å] and the nitro group is oriented at a dihedral angle of 15.4?(1)° with respect to its mean plane. In the crystal, moleucles are linked into C(8) [101] chains by C-H?O hydrogen bonds, and weak aromatic ?-? stacking [centroid-centroid distance = 3.887?(1)?Å] also occurs.

SUBMITTER: Bakthadoss M

PROVIDER: S-EPMC3515275 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate.

Bakthadoss M M Devaraj A A Lakshmanan D D Murugavel S S

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

In the title compound, C(12)H(8)N(2)O(6), the 1,3-benzodioxole ring system is essentially planar [maximum deviation = 0.036 (2) Å] and the nitro group is oriented at a dihedral angle of 15.4 (1)° with respect to its mean plane. In the crystal, moleucles are linked into C(8) [101] chains by C-H⋯O hydrogen bonds, and weak aromatic π-π stacking [centroid-centroid distance = 3.887 (1) Å] also occurs. ...[more]

PMID: 23284495

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