4-[3-(1-Naphthyloxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-p-tolylsydnone
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 R22(12) ring motifs. Further stabilization is provided by weak C—H...π interactions..
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2010 |
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| Erschienen: |
2010 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:66 |
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| Enthalten in: |
Acta Crystallographica Section E - 66(2010), 6, Seite o1394-o1395 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Jia Hao Goh [VerfasserIn] |
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| Links: |
doi.org [kostenfrei] |
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| Themen: |
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| doi: |
10.1107/S1600536810017812 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
DOAJ045505721 |
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| 520 | |a 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 R22(12) ring motifs. Further stabilization is provided by weak C—H...π interactions. | ||
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