Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2, 3, 4, 5-tetrahydro-1, 2, 4-triazin-5-one

A Hori, Y Ishida, T Kikuchi, K Miyamoto…

Index: Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi Acta Crystallographica Section C: Crystal Structure Communications, 2009 , vol. 65, # 12 p. o593-o597

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Abstract

In the crystal structure of 6-phenyl-3-thioxo-2, 3, 4, 5-tetrahydro-1, 2, 4-triazin-5-one, C9H7N3OS,(I), the 1, 2, 4-triazine moieties are connected by face-to-face contacts through two kinds of double hydrogen bonds (N—H⋯ O and N—H⋯ S), which form planar ribbons along the a axis. The ribbons are crosslinked through C—H⋯ π interactions between the phenyl rings. The molecular structures of two regioisomeric compounds, namely 6-phenyl- ...