Crystal structure of 2-mercapto-6-methylpurine monohydrate

Srinivasan, R. ; Chandrasekharan, R. (1968) Crystal structure of 2-mercapto-6-methylpurine monohydrate Acta Crystallographica Section B, 24 . pp. 1698-1700. ISSN 0108-7681

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C6H4N4S·H20 crystallizes in space group P21/a with a=8.72, b= 27.60, c=4.26Å, β=93.75, Z=4. The three nearest neighbours of the oxygen atom are N(7), N(9) and S distant 2.81, 2.81 and 3.26 Å respectively and belonging to three different purine molecules, and the intermolecular distance N(7)···S is 3.37Å. The structure determination is not accurate enough to indicate which of the two atoms N(7) or N(9) is protonated or to draw definite conclusions regarding the hydrogen bonding system.

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Deposited On:12 Apr 2011 09:37
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