Bis[(1S)-1,4-aza­nediyl-1-(9-deaza­adenin-9-yl)-1,4-dide­oxy-5-methyl­sulfanyl-d-ribitol] tetra­kis­(hydro­chloride) monohydrate: structure, DFT energy and ligand docking results of a potent methyl­thio­adenosine phospho­rylase inhibitor found in different mol­ecular conformations

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

IUCr IT WDC

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Figure 3
Key hydrogen-bonding interactions in (I)

, see Comment; the asymmetric unit is shown with selected hydrogen bonds as dotted lines (Farrugia, 1997

). H atoms have arbitrary radii, while other atoms are shown with 50% displacement ellipsoids.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

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