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Adeninium perchlorate.


ABSTRACT: IN THE TITLE SALT (SYSTEMATIC NAME: 6-amino-9H-purin-1-ium perchlorate), C(5)H(6)N(5) (+)·ClO(4) (-), the adeninium cation is essentially planar, with a maximum deviation of 0.038?(1)?Å. The whole of the perchlorate anion is disordered over two sets of sites with an occupancy ratio of 0.589?(13):0.411?(13). In the crystal, the adeninium cations are linked by pairs of N-H?N hydrogen bond into inversion dimers. The dimers and the anions are further inter-connected into a three-dimensional supra-molecular structure via inter-molecular N-H?O, C-H?O and C-H?N hydrogen bonds.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3051488 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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Adeninium perchlorate.

Fun Hoong-Kun HK   Goh Jia Hao JH   Maity Annada C AC   Goswami Shyamaprosad S  

Acta crystallographica. Section E, Structure reports online 20110115 Pt 2


IN THE TITLE SALT (SYSTEMATIC NAME: 6-amino-9H-purin-1-ium perchlorate), C(5)H(6)N(5) (+)·ClO(4) (-), the adeninium cation is essentially planar, with a maximum deviation of 0.038 (1) Å. The whole of the perchlorate anion is disordered over two sets of sites with an occupancy ratio of 0.589 (13):0.411 (13). In the crystal, the adeninium cations are linked by pairs of N-H⋯N hydrogen bond into inversion dimers. The dimers and the anions are further inter-connected into a three-dimensional supra-mo  ...[more]

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