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Literature DB >> 32030358

3,5-Dichloro-3',4'-dimethoxybiphenyl.

Ram Dhakal¹, Sean Parkin², Hans-Joachim Lehmler¹.

Abstract

3,5-Dichloro-3',4'-dimethoxybiphenyl, C14H12Cl2O2, is a dihydroxylated metabolite of 3,4-dichlorobiphenyl (PCB 14). The title compound displays π-π stacking interactions between inversion related chlorinated benzene rings, with an inter-planar stacking distance of 3.3695 (17) Å. The dihedral angle between the two benzene rings was 42.49 (6)°. The methoxy groups on the non-chlorinated ring lie essentially in the plane of the benzene ring, with dihedral angles of 4.0 (2)° and -2.07 (19)°.

Entities: Chemical Gene

Year: 2019 PMID： 32030358 PMCID： PMC7004253 DOI： 10.1107/s2414314619005182

Source DB: PubMed Journal: IUCrdata ISSN： 2414-3146

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References

13 in total

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3,5-Dichloro-3',4'-dimethoxybiphenyl.

1. Expansion of scalar validation criteria to three dimensions: the R tensor

2. Structure-activity relationship for noncoplanar polychlorinated biphenyl congeners toward the ryanodine receptor-Ca2+ channel complex type 1 (RyR1).

Review 3. Chiral polychlorinated biphenyls: absorption, metabolism and excretion--a review.

4. An Extended Structure-Activity Relationship of Nondioxin-Like PCBs Evaluates and Supports Modeling Predictions and Identifies Picomolar Potency of PCB 202 Towards Ryanodine Receptors.

5. The three-dimensional structure of 3,3',4,4'-tetrachlorobiphenyl, a dioxin-like polychlorinated biphenyl (PCB).

6. Binding of polychlorinated biphenyls classified as either phenobarbitone-, 3-methylcholanthrene- or mixed-type inducers to cytosolic Ah receptor.

7. 4'-Chloro-biphenyl-3-yl 2,2,2-trichloro-ethyl sulfate.

8. Crystal structure refinement with SHELXL.

9. 5,5'-Dichloro-2,2'-dimeth-oxy-biphen-yl.

10. Structure validation in chemical crystallography.