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4-(5-Oxo-5H-1,2,4-dithia-zol-3-yl)phenyl 4-methyl-benzene-sulfonate.

ABSTRACT: In the mol-ecular structure of the title compound, C(15)H(11)NO(4)S(3), the 1,2,4-dithia-zolone and central benzene rings are approximately coplanar, making a dihedral angle of 3.08?(7)°. The central benzene ring and the 4-methyl-benzene ring subtend a dihedral angle of 57.47?(8)°. In the crystal, ?-? stacking occurs between the central benzene ring and the 1,2,4-dithia-zolone ring of adjacent mol-ecules, which are aligned almost parallel, the centroid-centroid distance being 3.555?(7)?Å.

SUBMITTER: Yang JZ

PROVIDER: S-EPMC3275205 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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4-(5-Oxo-5H-1,2,4-dithia-zol-3-yl)phenyl 4-methyl-benzene-sulfonate.

Yang Jian-Zhong JZ Pi Wei-Yi WY Luo You-Fu YF

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

In the mol-ecular structure of the title compound, C(15)H(11)NO(4)S(3), the 1,2,4-dithia-zolone and central benzene rings are approximately coplanar, making a dihedral angle of 3.08 (7)°. The central benzene ring and the 4-methyl-benzene ring subtend a dihedral angle of 57.47 (8)°. In the crystal, π-π stacking occurs between the central benzene ring and the 1,2,4-dithia-zolone ring of adjacent mol-ecules, which are aligned almost parallel, the centroid-centroid distance being 3.555 (7) Å. ...[more]

PMID: 22347061

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