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6-Chloro-9-(2-nitro­phenyl­sulfon­yl)-9H-purine

By Ning-Yu Wang, Mei Deng, Yong Xia and Luo-Ting Yu

Abstract

The title compound, C11H6ClN5O4S, crystallized with two independent mol­ecules 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 mol­ecules. In the crystal, inter­molecular π–π stacking inter­actions [centroid–centroid distance = 3.8968 (12) Å], C—Cl⋯π inter­actions [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

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3052074
Provided by: PubMed Central

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  1. A view of the crystal packing of the title compound, with the C-Cl···π, C-H···O and CH···N interactions shown as dotted red lines [the centroid of ring (C10-C15) is shown as a red dot]. 6-Chloro-9-(2-nitrophenylsulfonyl)-9H-purine Crystal data
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  4. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq Cl1