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- W2040238122 abstract "Abstract The first crystal structure of a calixarene-dye, that of p-tetrakis-(phenylazo)calix[4]arene, is presented in this work. Recrystallization of this purified substance in N,N-dimethylformamide afforded crystals suitable for X-ray diffraction. The compound crystallizes in the triclinic space groupe P1 with a = 14.477(3), b = 15.699(3), c = 11.251(5) Å, x = 95.29(3), β = 89.94(3), γ = 112.35(2)°, and Dc = 1.290g/cm3 for Z = 2. Refinement based on 6932 observed reflections afforded a final R value of 0.089. These calixarene-N,N-dimethyl-formamide 1:1 crystals have a high density for a compound constituted only of hydrogen, oxygen and nitrogen atoms. This is due to the penetration of a benzylazo group of a calixarene molecule in the cavity of a neighbouring calixarene molecule. A hydrogen bond is established between the oxygen atom of the N,N-dimethylformamide and an oxygen atom of the calixarene; CH3…π interactions also exist between an aromatic nucleus of the phenylazo group and N,N-dimethylformamide. The crystal can be described as a series of layers of calixarene molecules and N,N-dimethylformamide molecules in parallel planes. In theory, the two phenyl groups linked by the azo group in the same moiety, which correspond to a conjugated molecule, should be coplanar. This is in fact the case for two moieties. However, interactions within the calixarene cavity disturb the plane of the third phenyl/azophenyl group and create an angle of 25.6° between the two phenyl groups. For the fourth fragment, interactions between the phenylazo group and N,N-dimethylformamide modify the angle between the phenyl group even more significantly (56.5°)." @default.
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- W2040238122 date "1993-06-01" @default.
- W2040238122 modified "2023-09-27" @default.
- W2040238122 title "Study of calixarenes-dyes. Structure of<i>p</i>-tetrakis(phenylazo)calix[4]arene" @default.
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- W2040238122 doi "https://doi.org/10.1080/10610279308027511" @default.
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