5,5′-Dichloro-2,2′-dimethoxybiphenyl

Lehmler, Hans‐Joachim; Wu, Huimin; Parkin, Sean

doi:10.1107/s160053681300826x

Cited by 4 publications

(3 citation statements)

References 11 publications

(20 reference statements)

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“…All the three rings (two benzene and one pyranone) are in the same plane with a benzene and pyranone ring connected through a single bond. Such bonding situations have been more likely found to have some orientations in horizontal plane [28] , [29] , [30] , [31] , [32] however, in the current case both the rings are in the same plane. This might be due to packing effects where the molecules have π-π stacking interactions that might keep these rings in the plane.…”

Section: Resultsmentioning

confidence: 53%

Crystal Structure Elucidation and Anticancer Studies of (-)-Pseudosemiglabrin: A Flavanone Isolated from the Aerial Parts of Tephrosia apollinea

et al. 2014

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Tephrosia apollinea is a perennial shrublet widely distributed in Africa and is known to have medicinal properties. The current study describes the bio-assay (cytotoxicity) guided isolation of (-)-pseudosemiglabrin from the aerial parts of T. apollinea. The structural and stereochemical features have been described using spectral and x-ray crystallographic techniques. The cytotoxicity of isolated compound was evaluated against nine cancer cell lines. In addition, human fibroblast was used as a model cell line for normal cells. The results showed that (-)-pseudosemiglabrin exhibited dose-dependent antiproliferative effect on most of the tested cancer cell lines. Selectively, the compound showed significant inhibitory effect on the proliferation of leukemia, prostate and breast cancer cell lines. Further studies revealed that, the compound exhibited proapoptotic phenomenon of cytotoxicity. Interestingly, the compound did not display toxicity against the normal human fibroblast. It can be concluded that (-)-pseudosemiglabrin is worthy for further investigation as a potential chemotherapeutic agent.

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Section: Resultsmentioning

confidence: 53%

Crystal Structure Elucidation and Anticancer Studies of (-)-Pseudosemiglabrin: A Flavanone Isolated from the Aerial Parts of Tephrosia apollinea

et al. 2014

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“…For details of the synthesis process, see reference [42] . It is also noteworthy to mention that an analogous molecule was prepared in the context of polychlorinated biphenyls (PCBs) using the Suzuki coupling method [43] …”

Section: Methodsmentioning

confidence: 99%

“…[42] It is also noteworthy to mention that an analogous molecule was prepared in the context of polychlorinated biphenyls (PCBs) using the Suzuki coupling method. [43] The molecular structure was determined by means of single crystal X-ray diffraction. Data were collected at room temperature using an Enraf-Nonius CAD4 Mo(Kα)-diffractometer.…”

Section: Chemical Preparation and Single-crystal X-ray Diffractionmentioning

confidence: 99%

The Unconventional Noncovalent Interactions Control: Crystallographic and Theoretical Analyses of the Crystalline Structure of 1,1′‐(1‐Chloro‐4‐methoxyphenyl)dibenzene as a Case Study

Hajji,

Haouas,

Abad

et al. 2023

ChemistrySelect

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Unconventional noncovalent interactions are ubiquitous in molecular crystals, supramolecular systems, and biomolecules, but their significance has often been overshadowed by stronger intermolecular interactions such as hydrogen bonding and π‐stacking. This study aims to emphasize the significance of nonclassical noncovalent interactions in crystal packing. The crystal structure of 1,1′‐(1‐chloro‐4‐methoxyphenyl)dibenzene was reported as a representative case. A network of weak interactions governs the arrangement of the molecules within the crystal, encompassing C−H⋅⋅⋅X hydrogen bonding (where X=O, Cl, or π), weak Cl⋅⋅⋅Cl symmetrical bonding (classified as Type I halogen–halogen bonding), and C−H…H−C homopolar dihydrogen contacts (dH…H=2.348 Å). The nature, energetics, and cooperativity of these interactions were evaluated using computational calculations based on dispersion‐corrected density functional theory (DFT/wB97X‐D/aug‐cc‐pVTZ). Our findings contribute to a comprehensive understanding of unconventional noncovalent interactions and their role in crystal packing. The methods and concepts employed are likely to be applicable to other molecular systems in biology, chemistry, and materials science.

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Synthesis of mono- and dimethoxylated polychlorinated biphenyl derivatives starting from fluoroarene derivatives

Dhakal

Parkin

et al. 2019

Environ Sci Pollut Res

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5,5′-Dichloro-2,2′-dimethoxybiphenyl

Cited by 4 publications

References 11 publications

Crystal Structure Elucidation and Anticancer Studies of (-)-Pseudosemiglabrin: A Flavanone Isolated from the Aerial Parts of Tephrosia apollinea

Crystal Structure Elucidation and Anticancer Studies of (-)-Pseudosemiglabrin: A Flavanone Isolated from the Aerial Parts of Tephrosia apollinea

The Unconventional Noncovalent Interactions Control: Crystallographic and Theoretical Analyses of the Crystalline Structure of 1,1′‐(1‐Chloro‐4‐methoxyphenyl)dibenzene as a Case Study

Synthesis of mono- and dimethoxylated polychlorinated biphenyl derivatives starting from fluoroarene derivatives

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