Methyl 3-phenyl-isoxazole-5-carboxyl-ate.

Li Wang,Yao-Dong Li,Rui Xu,Ya-Jun Li,Wei Zhang

doi:10.1107/s1600536814000038

Li Wang, Yao-Dong Li + Show 3 more

Open Access

https://doi.org/10.1107/s1600536814000038

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Abstract

In the title compound, C11H9NO3, the dihedral angle between the isoxazole and phenyl rings is 19.79 (12), while the ester group is inclined to the isoxazole group by 12.14 (6)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming layers lying parallel to (010).

Highlights

C11H9NO3, the dihedral angle between the isoxazole and phenyl rings is 19.79 (12), while the ester group is inclined to the isoxazole group by 12.14 (6)
Molecules are linked by C—HÁ Á ÁO hydrogen bonds, forming layers lying parallel to (010)
Supporting information for this paper is available from the IUCr electronic archives (Reference: SU2682)

Summary

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2008) Tmin = 0.964, Tmax = 0.987. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 A; R factor = 0.059; wR factor = 0.133; data-to-parameter ratio = 12.4. C11H9NO3, the dihedral angle between the isoxazole and phenyl rings is 19.79 (12), while the ester group is inclined to the isoxazole group by 12.14 (6). Molecules are linked by C—HÁ Á ÁO hydrogen bonds, forming layers lying parallel to (010). Related literature For the biological activity of isoxazole derivatives, see: Musad et al (2011). For the synthesis and the structure of a related compound, see: Wang et al (2013)

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