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5-(4-Methyl-phenyl-sulfon-yl)-1,3-dithiolo[4,5-c]pyrrole-2-thione.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(9)NO(2)S(4), contains one half-mol-ecule with the N, two S amd four C atoms lying on a mirror plane. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 87.00?(7)° between the benzene and dithiol-opyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into chains in [010].

SUBMITTER: Zheng NJ

PROVIDER: S-EPMC3344007 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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5-(4-Methyl-phenyl-sulfon-yl)-1,3-dithiolo[4,5-c]pyrrole-2-thione.

Zheng Ning-Juan NJ Yin Bing-Zhu BZ

Acta crystallographica. Section E, Structure reports online 20120314 Pt 4

The asymmetric unit of the title compound, C(12)H(9)NO(2)S(4), contains one half-mol-ecule with the N, two S amd four C atoms lying on a mirror plane. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7)° between the benzene and dithiol-opyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains in [010]. ...[more]

PMID: 22589916

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