Abstract
The asymmetric unit of the title compound, C9H9N3S, contains two crystallographically independent molecules, in which the thiadiazole and tolyl rings are oriented at dihedral angles of 32.25 (3) and 74.50 (3)°. An intramolecular C—H⋯S interaction results in the formation of a five-membered ring. In the crystal structure, intermolecular N—H⋯N hydrogen bonds link the molecules into chains along the a axis. A π–π contact between the thiadiazole rings [centroid–centroid distance = 3.910 (3) Å] may further stabilize the structure. There is also a weak C—H⋯π interaction.
Highlights
The asymmetric unit of the title compound, C9H9N3S, contains two crystallographically independent molecules, in which the thiadiazole and tolyl rings are oriented at dihedral angles of
1,3,4-Thiadiazole derivatives represent an interesting class of compounds possessing broad spectrum biological activities (Nakagawa et al, 1996; Wang et al, 1999)
We report the crystal structure of the title compound
Summary
R factor = 0.053; wR factor = 0.162; data-to-parameter ratio = 9.2. The asymmetric unit of the title compound, C9H9N3S, contains two crystallographically independent molecules, in which the thiadiazole and tolyl rings are oriented at dihedral angles of. An intramolecular C—H S interaction results in the formation of a five-membered ring. Intermolecular N—H N hydrogen bonds link the molecules into chains along the a axis. A – contact between the thiadiazole rings [centroid–centroid distance =. 3.910 (3) Å] may further stabilize the structure.
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