1-(4-Chloro-phen-yl)-1H-1,2,4-triazol-5(4H)-one

1-(4-Chloro-phen-yl)-1H-1,2,4-triazol-5(4H)-one

In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra-molecular C-H⋯O inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(8) loops and C-H⋯O inter-actions lin...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2014-04, Vol.70 (Pt 4), p.o499-o499
Hauptverfasser: Kattimani, Pramod P, Kamble, Ravindra R, Kumbar, Mahadev N, Arunkashi, H K, Devarajegowda, H C
Format: Artikel
Sprache:eng
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Organic Papers
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Zusammenfassung:In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra-molecular C-H⋯O inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(8) loops and C-H⋯O inter-actions link the dimers into [100] chains. Weak π-π stacking inter-actions [centroid-centroid distance = 3.644 (1) Å] are also observed.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536814006412