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5,5'-[1,4-Phenyl-enebis(methyl-enesulfanedi-yl)]bis-[1,3,4-thia-diazol-2(3H)-one] dimethyl sulfoxide disolvate.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(10)N(4)O(2)S(4)·2C(2)H(6)OS, contains one half of the p-xylene mol-ecule and one dimethyl sulfoxide mol-ecule. The p-xylene mol-ecule is located about a crystallographic inversion centre. In the mol-ecule, the thia-diazole and benzene rings are almost perpendicular to one another, with a dihedral angle of 88.95?(6)°. In the crystal, an N-H?O hydrogen bond is observed between the two components. The dimethyl sulfoxide mol-ecule is disordered over two orientations with an occupancy ratio of 0.879?(1):0.121?(1).

SUBMITTER: Kang SK 

PROVIDER: S-EPMC3297851 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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5,5'-[1,4-Phenyl-enebis(methyl-enesulfanedi-yl)]bis-[1,3,4-thia-diazol-2(3H)-one] dimethyl sulfoxide disolvate.

Kang Sung Kwon SK   Cho Nam Sook NS   Jang Siyoung S  

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

The asymmetric unit of the title compound, C(12)H(10)N(4)O(2)S(4)·2C(2)H(6)OS, contains one half of the p-xylene mol-ecule and one dimethyl sulfoxide mol-ecule. The p-xylene mol-ecule is located about a crystallographic inversion centre. In the mol-ecule, the thia-diazole and benzene rings are almost perpendicular to one another, with a dihedral angle of 88.95 (6)°. In the crystal, an N-H⋯O hydrogen bond is observed between the two components. The dimethyl sulfoxide mol-ecule is disordered over  ...[more]

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