Abstract
In the title sydnone compound, C24H18N6O3S {systematic name: 4-[3-(1-naphthyloxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-p-tolyl-4,5-dihydro-1,2,3-oxadiazol-3-ium-5-olate} an intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. The essentially planar 1,2,3-oxadiazole and 1,2,4-triazole rings [maximum deviations of 0.006 (1) and 0.008 (1) Å, respectively] are inclined to one another at interplanar angle of 44.11 (4)°. The naphthalene unit forms an interplanar angle of 66.40 (4)° with the 1,2,4-triazole ring. In the crystal packing, pairs of intermolecular C—H⋯O hydrogen bonds link adjacent molecules into dimers incorporating R 2 2(12) ring motifs. Further stabilization is provided by weak C—H⋯π interactions.
Highlights
In the title sydnone compound, C24H18N6O3S {systematic name: 4-[3-(1-naphthyloxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-p-tolyl-4,5-dihydro-1,2,3-oxadiazol-3ium-5-olate} an intramolecular C—H O hydrogen bond generates an S(6) ring motif
Further stabilization is provided by weak C—H interactions
For the stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986)
Summary
R factor = 0.036; wR factor = 0.110; data-to-parameter ratio = 24.9. In the title sydnone compound, C24H18N6O3S {systematic name: 4-[3-(1-naphthyloxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-p-tolyl-4,5-dihydro-1,2,3-oxadiazol-3ium-5-olate} an intramolecular C—H O hydrogen bond generates an S(6) ring motif. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. 1,2,3-oxadiazole and 1,2,4-triazole rings [maximum deviations of 0.006 (1) and 0.008 (1) Å, respectively] are inclined to one another at interplanar angle of 44.11 (4). The naphthalene unit forms an interplanar angle of 66.40 (4) with the 1,2,4triazole ring. C—H O hydrogen bonds link adjacent molecules into dimers incorporating R22(12) ring motifs. Further stabilization is provided by weak C—H interactions
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More From: Acta Crystallographica Section E Structure Reports Online
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