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1-(4,5-Dinitro-10-aza-tricyclo-[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone.

ABSTRACT: In the title compound, C(13)H(10)F(3)N(3)O(5), a derivative of andrographolide, the five-membered ring adopts an envelope conformation, while the non-planar six-membered ring has a chair conformation. An intra-molecular C-H⋯F hydrogen bond results in the formation of a non-planar six-membered ring adopting a twisted conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

SUBMITTER: Xu H

PROVIDER: S-EPMC2959852 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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1-(4,5-Dinitro-10-aza-tricyclo-[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone.

Xu Hao H Quan Ji-Cai JC Xu Jian J Chen Jing J Wang Jin-Tang JT

Acta crystallographica. Section E, Structure reports online 20081122 Pt 12

In the title compound, C(13)H(10)F(3)N(3)O(5), a derivative of andrographolide, the five-membered ring adopts an envelope conformation, while the non-planar six-membered ring has a chair conformation. An intra-molecular C-H⋯F hydrogen bond results in the formation of a non-planar six-membered ring adopting a twisted conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. ...[more]

PMID: 21581393

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