Stereochemistry of nucleic acids and their constituents. XI. Molecular structure and conformation of .alpha.-pseudouridine monohydrate, an unusual nucleoside with a glycosidic carbon-carbon bond

1970 ◽  
Vol 92 (16) ◽  
pp. 4950-4955 ◽  
Author(s):  
D. Rohrer ◽  
Muttaiya. Sundaralingam

The molecular structure of perylene has been studied in the vapour phase by the sector electron diffraction method. The average carbon-carbon bond distance in perylene apart from the peri -bonds was found to be about 0·010 Ǻ longer than the average carbon-carbon bond distance in the naphthalene molecule. The peri -bond length was determined to be 1·493 ± 0·015 Ǻ.


2013 ◽  
Vol 69 (12) ◽  
pp. o1821-o1821
Author(s):  
Hendryk Würfel ◽  
Helmar Görls ◽  
Dieter Weiss ◽  
Rainer Beckert

The title compound, C12H9BrN2OS2, was obtained by reacting 6-bromobenzo[d]thiazole-2-carbonitrile iniso-propanol with ethyl 2-mercapto-2-methylpropanoate at reflux temperature for several hours. The resulting dimethyloxyluciferin derivative shows partial double-bond character of the carbon–carbon bond between the two heterocyclic moieties [C—C = 1.461 (3) Å]. This double bond restricts rotation around this C—C axis, therefore leading to an almost planar molecular structure [N—C—C—S torsion angle = 9.7 (3)°]. The five-membered thiazoline ring is not completely planar as a result of the bulky S atom [C—S—C—C torsion angle = 5.17 (12)°].


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