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2,2-Dichloro-1-[(2R,5S)-5-ethyl-2-methyl-2-propyl-1,3-oxazolidin-3-yl]ethanone.

ABSTRACT: In the title compound, C(11)H(19)Cl(2)NO(2), the oxazolidine ring is in an envelope conformation with the O atom forming the flap. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds, forming chains.

SUBMITTER: Fu Y

PROVIDER: S-EPMC2979515 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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2,2-Dichloro-1-[(2R,5S)-5-ethyl-2-methyl-2-propyl-1,3-oxazolidin-3-yl]ethanone.

Fu Ying Y Ye Fei F Wen Xiaotian X

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

In the title compound, C(11)H(19)Cl(2)NO(2), the oxazolidine ring is in an envelope conformation with the O atom forming the flap. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds, forming chains. ...[more]

PMID: 21579390

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2,2-Dichloro-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone.

Project description:In the title mol-ecule, C(11)H(11)Cl(2)NO(2), the oxazolidine ring is in an envelope conformation with the O atom forming the flap; the other four essentially planar ring atoms (r.m.s. deviation = 0.012?Å) form a dihedral angle of 91.1?(3)° with the phenyl ring. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds, forming one-dimensional chains.

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Project description:The crystal of the title Schiff base compound, C(19)H(20)Cl(2)N(2)O(2), contains of two crystallographically independent mol-ecules with similar conformations. In each mol-ecule, two intramolecular O-H⋯N bonds generate S(6) motifs. The N atoms are also in close proximity to two H atoms of the dimethyl-propane groups, with H⋯N distances between 2.59 and 2.62 Å. The imine group is coplanar with the benzene ring. The dihedral angles between the benzene rings in the two independent mol-ecules are 58.20 (12) and 47.95 (12)°. The structure displays short inter-molecular Cl⋯Cl [3.3869 (11) Å] and Cl⋯O [3.175 (2)-3.204 (2) Å] inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances 3.6416 (13)-3.8705 (14) Å] inter-actions.

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Expression data from HeLa cell treated with Tris(1,3-dichloro-2-propyl)phosphate

Project description:Tris(1,3-dichloro-2-propyl)phosphate is widely used in consumer products as a flame retardant. Humans are often exposed to this compound. However, the molecular mechanisms of the compound`s adverse effects are still unclear. We address the molecular and cellular mechanisms underlying tris(1,3-dichloro-2-propyl)phosphate effects on HeLa cells. Here RNA-Seq analysis was performed to identify distinct classes of up- or down-regulated genes and their connections to different metabolic pathways.

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Project description:The title compound, C(19)H(18)Cl(2)O(8), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2,4-dichloro-benzaldehyde in ethanol. The two 1,3-dioxane rings exhibit boat conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?Cl hydrogen bonds, forming chains parallel to the a axis.

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