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(E)-9-(But-2-en-1-yl)-6-chloro-9H-purine.

ABSTRACT: The asymmetric unit of the title compound, C9H9ClN4, contains two mol-ecules. In the crystal, the mol-ecules are ordered in a chain-like fashion along the a axis, and form layers offset relative to the C plane by approximately 30°. This ordering does not, however, appear to be directed by classical hydrogen bonding.The allylic side chains of both independent mol-ecules are disordered, with occupancies of 0.870 (4) and 0.934 (3) for the major components. The disorder components represent two possible spatial orientations of the atoms around the C=C double bond.

SUBMITTER: Lundvall F

PROVIDER: S-EPMC3684933 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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(E)-9-(But-2-en-1-yl)-6-chloro-9H-purine.

Lundvall Fredrik F Kania Jindrich J Gundersen Lise-Lotte LL

Acta crystallographica. Section E, Structure reports online 20130511 Pt 6

The asymmetric unit of the title compound, C9H9ClN4, contains two mol-ecules. In the crystal, the mol-ecules are ordered in a chain-like fashion along the a axis, and form layers offset relative to the C plane by approximately 30°. This ordering does not, however, appear to be directed by classical hydrogen bonding.The allylic side chains of both independent mol-ecules are disordered, with occupancies of 0.870 (4) and 0.934 (3) for the major components. The disorder components represent two poss ...[more]

PMID: 23795035

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