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2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl-idene]malononitrile.

ABSTRACT: In the title compound, C(11)H(5)N(3)O(4), the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O-C-O C atom. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, resulting in R(2) (2)(6) and R(2) (2)(12) graph-set motifs.

SUBMITTER: Karthikeyan S

PROVIDER: S-EPMC3239096 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl-idene]malononitrile.

Karthikeyan S S Sethusankar K K Devaraj Anthonisamy A Bakthadoss Manickam M

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

In the title compound, C(11)H(5)N(3)O(4), the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O-C-O C atom. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, resulting in R(2) (2)(6) and R(2) (2)(12) graph-set motifs. ...[more]

PMID: 22199944

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