A molecular orbital study of the conformational properties of nicotinamides
Calculations carried out by the quantum-mechanical PCILO method indicate that the stable conformation of nicotinamide corresponds to a torsion of about 30° of the amide group with respect to the pyridine ring but that in 1,4-dihydronicotinamide the two groups are coplanar. In the nucleoside of the r...
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Published in | Biochemical and biophysical research communications Vol. 44; no. 5; pp. 1131 - 1134 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
United States
Elsevier Inc
01.09.1971
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Subjects | |
Online Access | Get full text |
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Summary: | Calculations carried out by the quantum-mechanical PCILO method indicate that the stable conformation of nicotinamide corresponds to a torsion of about 30° of the amide group with respect to the pyridine ring but that in 1,4-dihydronicotinamide the two groups are coplanar. In the nucleoside of the reduced form the calculations predict a preferred
syn orientation of the sugar with respect to the base. These results are in excellent agreement with available X-ray and RMN data. |
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Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0006-291X 1090-2104 |
DOI: | 10.1016/S0006-291X(71)80203-6 |