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4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone

By Hoong-Kun Fun, Madhukar Hemamalini, Nithinchandra and Balakrishna Kalluraya

Abstract

In the title syndone (1,2,3-oxadiazol-3-ylium-5-olate) compound, C21H16ClN5O4S, the dihedral angle between the benzene and oxadiazole rings is 55.62 (11)° and that between the triazine and the chloro-substituted phenyl rings is 82.45 (9)°. There is an intra­molecular C—H⋯S hydrogen bond, which generates an S(5) ring motif. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R 2 2(20) loops. The dimers are connected by C—H⋯N and C—H⋯O hydrogen bonds

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3099780
Provided by: PubMed Central

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Citations

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  2. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq Cl1