2,6,10-Trichlorotris[1,2,4]triazolo[1,5-a:1′,5′-c:1′′,5′′-e][1,3,5]triazine

Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter

doi:10.1107/s2414314618002122

Cited by 3 publications

(1 citation statement)

References 11 publications

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“…A thermal isomerization converts 1 to its isomer 2 with different connectivity of the triazole rings, shifting the tangentially oriented aryl rings to radial positions. The cyclocondensation of chlorotriazoles 7 is the direct route to the isomeric r-TTTs 2 [58,59]. Besides limited accessibility of the particular chlorotriazole, poor yields in the cyclocondensation step reduce the synthetic value of this method.…”

Section: Synthesismentioning

confidence: 99%

Impact of Substitution Pattern and Chain Length on the Thermotropic Properties of Alkoxy-Substituted Triphenyl-Tristriazolotriazines

et al. 2020

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Tristriazolotriazines (TTTs) with a threefold alkoxyphenyl substitution were prepared and studied by DSC, polarized optical microscopy (POM) and X-ray scattering. Six pentyloxy chains are sufficient to induce liquid-crystalline behavior in these star-shaped compounds. Thermotropic properties of TTTs with varying substitution patterns and a periphery of linear chains of different lengths, branching in the chain and swallow-tails, are compared. Generally, these disks display broad and stable thermotropic mesophases, with the tangential TTT being superior to the radial isomer. The structure–property relationships of the number of alkyl chains, their position, length and structure were studied.

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Section: Synthesismentioning

confidence: 99%

Impact of Substitution Pattern and Chain Length on the Thermotropic Properties of Alkoxy-Substituted Triphenyl-Tristriazolotriazines

et al. 2020

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Tristriazolotriazines: Luminescent Discotic Liquid Crystals

Detert

2018

Eur J Org Chem

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Tristriazolotriazines (TTT) are new tetracyclic and planar cores for discotic liquid crystals. Two symmetrical isomers are known, paddle‐wheel type t‐TTTs and r‐TTTs with the shape of a propeller. Cyclocondensation of chlorotriazoles gives r‐TTTs, Huisgen reaction of tetrazoles and cyanuric chloride yields t‐TTTs with tangentially attached substituents. Many alkoxyphenyl‐substituted t‐TTTs form broad mesophases, typically with a hexagonal columnar structure. These luminescent molecules, when heated above 200 °C, suffer a thermal isomerization. A threefold ring opening/ring closing mechanism transforms t‐TTTs via unsymmetrical isomers to r‐TTTs. Thermotropic properties are largely influenced by planarization and increase of molecular diameter. Increased melting points, even the complete loss of liquid crystallinity have been observed, but also the gain of mesomorphism.

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Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Henn

2019

Crystallography Reviews

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Normal probability plots and corresponding histograms of the residuals for 1 and 2. Additional simulation of the histogram of data generated from two Gaussians with different variances -Fig.2: fraction of data with Miller triples being a multiple of 3 and fraction of rare events ||>3 from these fractions for 1 and 2 -Fig.3: BayCon plots (X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig:4: BayCon plots (  X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig5: Squared residuals in individual bins of the data sorted by significance I o / (Io); observed intensity, I o ; and resolution (sin / respectively for 1 and 2 -Fig.6: Correlation coefficients cc(  ,  cc(  ,  cc(  ,  for the data sorted in increasing order of the significance of the observed intensities for 1 and 2 -Fig 7: Diagnostic plots for the neutron diffraction data set oxa14 from Kaminski et a Description of a simulation for testing the standard deviations sqrt(1/Nref) of the correlation coefficients with the help of random numbers.

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2,6,10-Trichlorotris[1,2,4]triazolo[1,5-a:1′,5′-c:1′′,5′′-e][1,3,5]triazine

Cited by 3 publications

References 11 publications

Impact of Substitution Pattern and Chain Length on the Thermotropic Properties of Alkoxy-Substituted Triphenyl-Tristriazolotriazines

Impact of Substitution Pattern and Chain Length on the Thermotropic Properties of Alkoxy-Substituted Triphenyl-Tristriazolotriazines

Tristriazolotriazines: Luminescent Discotic Liquid Crystals

Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

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