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N-(2,4-Difluoro-phen-yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate.

ABSTRACT: In the title compound, C(11)H(8)F(2)N(2)O(2)·0.5H(2)O, the dihedral angle between the benzene and isoxazole rings is 8.08?(3)°. In the crystal, the components are linked by O-H?N and N-H?O hydrogen bonds, in which the water mol-ecule acts as both a donor and an acceptor, into a tape with an R(4) (4)(16) graph-set motif along the a axis. The water mol-ecule is located on a twofold rotation axis. The methyl H atoms were treated as disordered groups over two sites with a refined site-occupancy ratio of 0.48?(6):0.52?(6).

SUBMITTER: Yu JG 

PROVIDER: S-EPMC3414190 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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N-(2,4-Difluoro-phen-yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate.

Yu Jian-Guang JG   Zhu Hai-Xi HX   Qiu Jiang-Kai JK   Wang De-Cai DC   Xu Hong H  

Acta crystallographica. Section E, Structure reports online 20120704 Pt 8

In the title compound, C(11)H(8)F(2)N(2)O(2)·0.5H(2)O, the dihedral angle between the benzene and isoxazole rings is 8.08 (3)°. In the crystal, the components are linked by O-H⋯N and N-H⋯O hydrogen bonds, in which the water mol-ecule acts as both a donor and an acceptor, into a tape with an R(4) (4)(16) graph-set motif along the a axis. The water mol-ecule is located on a twofold rotation axis. The methyl H atoms were treated as disordered groups over two sites with a refined site-occupancy rati  ...[more]

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