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Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro-phen-yl)allyl-idene]cyclo-hexane-1,3-dione.

ABSTRACT: In the title compound, C17H17NO4, the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The mol-ecule has a trans conformation about the bridging C=C bonds of the ally-idene chain. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked by further C-H.·O hydrogen bonds, forming sheets lying parallel to (10-1).

SUBMITTER: Lee JK

PROVIDER: S-EPMC4518916 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro-phen-yl)allyl-idene]cyclo-hexane-1,3-dione.

Lee Jae Kyun JK Min Sun-Joon SJ Cho Yong Seo YS Kwon Jang Hyuk JH Park Junghwan J

Acta crystallographica. Section E, Crystallographic communications 20150613 Pt 7

In the title compound, C17H17NO4, the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The mol-ecule has a trans conformation about the bridging C=C bonds of the ally-idene chain. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked by further C-H.·O hydrogen bonds, forming sheets lying parallel to (10-1). ...[more]

PMID: 26279921

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