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5-Nitro-1-benzofuran-2(3H)-one.

ABSTRACT: In the crystal structure of the title compound, C(8)H(5)NO(4), essentially planar mol-ecules [largest deviation from the least-squares plane = 0.030?(2)?Å] form stacks along the a-axis direction. Intercentroid separations between overlapping benzene rings within the stack are 3.6594?(12)?Å and 3.8131?(12)?Å. Mol-ecules from neighboring stacks are linked by weak C-H?O hydrogen bonds into inversion dimers.

SUBMITTER: Han XY

PROVIDER: S-EPMC3393298 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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5-Nitro-1-benzofuran-2(3H)-one.

Han Xin-Yi XY Shi Ya-Bin YB Shen Hong H Bai Shu-Yuan SY Wang Hai-Bo HB

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the crystal structure of the title compound, C(8)H(5)NO(4), essentially planar mol-ecules [largest deviation from the least-squares plane = 0.030 (2) Å] form stacks along the a-axis direction. Intercentroid separations between overlapping benzene rings within the stack are 3.6594 (12) Å and 3.8131 (12) Å. Mol-ecules from neighboring stacks are linked by weak C-H⋯O hydrogen bonds into inversion dimers. ...[more]

PMID: 22807855

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