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2,9-Bis(5-sulfanylidene-4,5-di-hydro-1,3,4-oxa-diazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate.

ABSTRACT: In the title compound, C16H8N6O2S2·2C2H6OS, the phenanthroline mol-ecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95?(3):0.047?(3)] mol-ecule of dimethyl sulfoxide. The O atoms of the solvent mol-ecule accept hydrogen bonds from the N-H groups of the five-membered 2,3-di-hydro-1,3,4-oxa-diazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86?(6)°. In the crystal, the mol-ecules are linked by C-H?O inter-actions.

SUBMITTER: Rahman MA

PROVIDER: S-EPMC3998466 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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2,9-Bis(5-sulfanylidene-4,5-di-hydro-1,3,4-oxa-diazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate.

Rahman Md A MA Karim Mohammad M Arifuzzaman Md M Siddiquee Tasneem T Daniels Lee M LM

Acta crystallographica. Section E, Structure reports online 20140222 Pt 3

In the title compound, C16H8N6O2S2·2C2H6OS, the phenanthroline mol-ecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95 (3):0.047 (3)] mol-ecule of dimethyl sulfoxide. The O atoms of the solvent mol-ecule accept hydrogen bonds from the N-H groups of the five-membered 2,3-di-hydro-1,3,4-oxa-diazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares p ...[more]

PMID: 24765020

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