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


ABSTRACT: 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 ?-? stacking inter-actions [centroid-centroid distance = 3.644?(1)?Å] are also observed.

PROVIDER: S-EPMC3998536 | BioStudies |

REPOSITORIES: biostudies

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