N,N-Dimethyl-3-phenylisoxazole-5-carboxamide

Li Wang,Kai-Ge Liu,Shao-Hua Zhang,Zheng-Wei Li,Ya-Jun Li

doi:10.1107/s1600536813033199

Li Wang, Kai-Ge Liu + Show 3 more

Open Access

https://doi.org/10.1107/s1600536813033199

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Abstract

In the title compound, C12H12N2O2, synthesized by ammonolysis of 3-phenylisoxazole-5-carbonyl chloride in dichloromethane, the dihedral angle between the isoxazole ring and the phenyl ring is 14.05 (7)°. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H⋯O hydrogen bonds, generating rings of graph-set motif R 2 2(10).

Highlights

Mo K radiation = 0.09 mmÀ1 T = 296 K 0.36 Â 0.25 Â 0.13 mm 5434 measured reflections 1977 independent reflections 1373 reflections with I > 2(I) Rint = 0.032
Centrosymmetrically related molecules are linked into dimers by pairs of C—HÁ Á ÁO hydrogen bonds, generating rings of graph-set motif R22(10)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RZ5100)

Summary

Bruker APEXII CCD area detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2008) Tmin = 0.970, Tmax = 0.989. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 A; R factor = 0.047; wR factor = 0.128; data-to-parameter ratio = 13.4. C12H12N2O2, synthesized by ammonolysis of 3-phenylisoxazole-5-carbonyl chloride in dichloromethane, the dihedral angle between the isoxazole ring and the phenyl ring is 14.05 (7). Centrosymmetrically related molecules are linked into dimers by pairs of C—HÁ Á ÁO hydrogen bonds, generating rings of graph-set motif R22(10). Related literature For the biological activity of isoxazole derivatives, see: Lopes et al (2011). For the synthesis and structure of a related compound, see: Wang et al (2013)

HÁ Á ÁA

Crystal data

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