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1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

ABSTRACT: The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

SUBMITTER: Shao CL 

PROVIDER: S-EPMC2960992 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

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1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

Shao Chang-Lun CL   Li Chunyuan C   Liu Zhen Z   Wei Mei-Yan MY   Wang Chang-Yun CY  

Acta crystallographica. Section E, Structure reports online 20080320 Pt 4

The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions t  ...[more]

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