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(E)-3-[1-(2,4-Difluoro-phen-yl)eth-yl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.

ABSTRACT: The 1,3,5-oxadiazinane ring in the title compound, C(12)H(14)F(2)N(4)O(3), has a conformation inter-mediate between half-chair and screw-boat. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds. Weak ?-? inter-actions are indicated by the relatively long centroid-centroid distance of 3.9199?(12)?Å and inter-planar distance of 3.803?Å between symmetry-related benzene rings from neighbouring mol-ecules.

SUBMITTER: Zhong YY

PROVIDER: S-EPMC3007461 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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(E)-3-[1-(2,4-Difluoro-phen-yl)eth-yl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.

Zhong Yuan-Yuan YY Li Cong-Cong CC Xu Liang-Zhong LZ

Acta crystallographica. Section E, Structure reports online 20100710 Pt 8

The 1,3,5-oxadiazinane ring in the title compound, C(12)H(14)F(2)N(4)O(3), has a conformation inter-mediate between half-chair and screw-boat. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds. Weak π-π inter-actions are indicated by the relatively long centroid-centroid distance of 3.9199 (12) Å and inter-planar distance of 3.803 Å between symmetry-related benzene rings from neighbouring mol-ecules. ...[more]

PMID: 21588297

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