Dibenzo-p-dioxin

Cordes, A. W.; Fair, C. K.

doi:10.1107/s0567740874005425

Cited by 27 publications

(17 citation statements)

References 1 publication

(1 reference statement)

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“…In the first (Senma, Taira, Taga & Osaki, 1973), the structure was refined in the centrosymmetric space group C2/c using 948 visuaUy-estimated photographic data, while in the second (Cordes & Fair, 1974; C&F hereinafter) the refinement was carried out in the noncentrosymmetric space group Cc, using 233 Mo Ka diffractometer data. The latter authors state that the space group Cc proved to be correct, presumably because they were unable to refine the structure in the centrosymmetric space group C2/c.…”

Section: Contributions Intended For Publication Under This Heading Shmentioning

confidence: 99%

Dibenzo-p-dioxin: a refinement

Singh¹,

McKinney²

1978

Acta Crystallogr Sect B

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Section: Contributions Intended For Publication Under This Heading Shmentioning

confidence: 99%

Dibenzo-p-dioxin: a refinement

Singh¹,

McKinney²

1978

Acta Crystallogr Sect B

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“…However, the X-ray crystal structure of the parent compound, oxanthrene (dibenzodioxine), and those of a number of other substituted derivatives show no significant deviation from planarity. 27 Thus, although there may be some fluctuation between non-planar conformations, it can be assumed that the benzodioxine is, on average, coplanar with the Pc core. The chosen target was Pc 8 for which the eight 'non-peripheral' dodecyl side-chains (R) were anticipated to help reduce the transitions temperatures so that the clearing point would lie below the decomposition temperature.…”

Section: Resultsmentioning

confidence: 99%

Untitled

2001

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Macrodiscotic materials are liquid crystalline systems composed of an extended planar structure. It is anticipated that the self-ordering of such materials will result in interesting mechanical and electronic properties. Two synthetic strategies for the realisation of macrodiscotic materials are reviewed: firstly, the preparation of molecules which possess a single extended discotic core and secondly, the assembly of rigid, planar macromolecules composed of a random array of fused discotic units. Oxanthrene-based phthalonitrile precursors, prepared by high yielding reactions between catechols and 4,5-dichlorophthalonitrile, are used to explore both strategies for the synthesis of macrodiscotic materials that incorporate phthalocyanine (Pc) as the discotic unit.{Basis of a presentation given at Materials Discussion No. 4,[11][12][13][14]

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“…A number of PCBs and dioxin analogs have been used as model compounds to investigate the specific structural requirements for cytosol receptor binding and for induction of aryl hydrocarbon hydroxylase activity (33)(34)(35)(36)(37). X-ray crystallographic analyses also have been carried out to elucidate their conformational properties (38)(39)(40)(41)(42). As illustrated ( Fig.…”

Section: Crystallographic Analyses Of Phenoxyalkanoic Acidsmentioning

confidence: 99%

Conformational Analysis of Environmental Agents: Use of X-Ray Crystallographic Data to Determine Molecular Reactivity

Cody¹

1985

Environmental Health Perspectives

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This paper explores the use of crystallographic techniques as an aid in understanding the molecular reactivities of a number of agents that are of concern to pharmacologists and toxicologists. The selected examples demonstrate the role of structural data in the determination of absolute configuration, configurational flexibility and active-site topology for a reactive species. For example, the role of absolute stereochemistry in understanding synthetic pyrethroid structure-activity relationships is shown from analysis of their crystal structures; conformational flexibility among DDT analogues, and the importance of conformational and electronic properties in phenylalkanoic acid herbicides are shown from systematic analysis of their crystal structures; and interpretation of active-site stereochemistry is made by study of computer modeling of enzyme inhibitors in the active sites of related protein crystal structures. Thus, the observed patterns in conformational flexibility and their resultant effects on substrate pharmacological profile can be interpreted in understanding the molecular level events that influence biological reactivity.

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Dibenzo-p-dioxin

Cited by 27 publications

References 1 publication

Dibenzo-p-dioxin: a refinement

Dibenzo-p-dioxin: a refinement

Untitled

Conformational Analysis of Environmental Agents: Use of X-Ray Crystallographic Data to Determine Molecular Reactivity

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