PMID: 1203903Nov 1, 1975Paper

A crystallographic determination of a chemical structure: 6-amino-10-(beta-D-ribofuranosylamino)pyrimido-[5,4-d]pyrimidine, an example of an unusual D-ribose conformation

Carbohydrate Research
P Narayanan, H M Berman

Abstract

The crystal and molecular structure of 6-amino-10-(beta-D-ribofuranosylamino)-pyrimido[5,4-d]pyrimidine has been determined by single crystal X-ray diffraction methods. The crystals are triclinic, of noncentric space group Pl, with cell dimensions a equals 5.434 (5), b equals 12.269 (19), c equals 4.574 (4) A, alpha equals 92.3 (1), beta equals 94.0 (1), gamma equals 95.3 degrees (1) and Z equals 1. The structure has been refined to an R value of 0.049 (Rw equals 0.063), by use of counter measured intensity data for 1063 observed reflections. The pyrimidopyrimidine ring is planar. The sugar moiety is in the envelope conformation with O-1'-endo (0E), and there is an intramolecular hydrogen bond (2.58 A) (O-3'-H-O3'...O-2'). All oxygen atoms except O-1' ring oxygen-atom are involved in hydrogen bonding. The pyrimidopyrimidine rings lie in planes 3.4 A apart.

References

Jun 15, 1970·Acta Crystallographica. Section B, Structural Science·J KonnertJ Karle

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Citations

Mar 11, 1981·Nucleic Acids Research·W K Olson
Mar 23, 2004·Organic & Biomolecular Chemistry·M Alice CarvalhoBrian L Booth
Aug 11, 2005·Journal of Industrial Microbiology & Biotechnology·A VatsouriaM Kaestner
Apr 6, 2012·Journal of Applied Crystallography·Richard A SykesPeter A Wood
Mar 15, 2019·Acta Crystallographica. Section E, Crystallographic Communications·James H GallChristopher S Frampton

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