Intramolecular hydrogen bonding and molecular conformations of nucleosides: N(6)-Dimethyl-2′,3′-isopropylidene adenosine
✍ Scribed by Danuta Plochocka; Andrzej Rabczenko; David B. Davies
- Book ID
- 115746764
- Publisher
- Elsevier Science
- Year
- 1977
- Weight
- 888 KB
- Volume
- 476
- Category
- Article
- ISSN
- 0005-2787
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The intramolecular hydrogen bonding in 3-amino 2-iminomethyl acryl aldehyde (AIA) has been studied by ab initio and DFT calculations. All possible conformers of the two tautomeric structures of the respective compound were fully optimized at HF, MP2 and B3LYP levels with 6-311++G ⁄⁄ basis set. From
The crystal structure of the title compound (3) was determined by the X-ray diffraction technique from diffractometer intensity measurements: C,H, O& monoclin{c space group P2, c, a = 12.644( 1) A, b = 6.102(1) A, c = 12.920(2) 1, B = 110.78(1)", 2193 reflections, and R = 0.043. The molecule of 3 ad