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6-Chloro-9-(2-nitro-phenyl-sulfon-yl)-9H-purine.

ABSTRACT: The title compound, C(11)H(6)ClN(5)O(4)S, crystallized with two independent mol-ecules in the asymmetric unit. The benzene ring makes dihedral angles of 66.46?(8) and 85.77?(9)° with the mean plane of the purine ring in the two mol-ecules. In the crystal, inter-molecular ?-? stacking inter-actions [centroid-centroid distance = 3.8968?(12)?Å], C-Cl?? inter-actions [Cl?centroid = 3.2505?(10)?Å, C-Cl?centroid = 161.56?(18)°] and non-classical C-H?O and C-H?N hydrogen bonds link the molecules.

SUBMITTER: Wang NY 

PROVIDER: S-EPMC3052074 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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6-Chloro-9-(2-nitro-phenyl-sulfon-yl)-9H-purine.

Wang Ning-Yu NY   Deng Mei M   Xia Yong Y   Yu Luo-Ting LT  

Acta crystallographica. Section E, Structure reports online 20110223 Pt 3

The title compound, C(11)H(6)ClN(5)O(4)S, crystallized with two independent mol-ecules in the asymmetric unit. The benzene ring makes dihedral angles of 66.46 (8) and 85.77 (9)° with the mean plane of the purine ring in the two mol-ecules. In the crystal, inter-molecular π-π stacking inter-actions [centroid-centroid distance = 3.8968 (12) Å], C-Cl⋯π inter-actions [Cl⋯centroid = 3.2505 (10) Å, C-Cl⋯centroid = 161.56 (18)°] and non-classical C-H⋯O and C-H⋯N hydrogen bonds link the molecules. ...[more]

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