Ruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; plan(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) applied to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); computer software applied to prepare material for publication: SHELXL97, PLATON (Spek, 2009) and publCIF (Westrip, 2010).A part of this work was supported by the fundamental Analysis Project in the Organic Science Foundation of Shaanxi Province (No. 2009JM4035) and the Project on the Well being Office of Shaanxi Province (No. 08H38).Supporting information for this paper is offered from the IUCr electronic archives (Reference: SU2682).References ExperimentalCrystal dataC11H9NO3 Mr = 203.19 Monoclinic, P21 =c ?a = 12.2275 (18) A ?b = 13.604 (2) A ?c = five.8746 (9) A = 97.011 (3) ?V = 969.9 (3) A3 Z=4 Mo K radiation Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Musad, E. A., Mohamed, R., Saeed, B. A., Vishwanath, B. S. Lokanatha, R. K. M. (2011). Bioorg. Med. Chem. Lett. 21, 3536?540. Sheldrick, G. M.Buy1980048-81-4 (2008). Acta Cryst. A64, 112?22. Spek, A. L. (2009). Acta Cryst. D65, 148?55. Wang, L., Liu, X.-Y., Li, Z.-W. Zhang, S.-Y. (2013). Acta Cryst. E69, o733. Westrip, S. P. (2010). J. Appl. Cryst. 43, 920?25.oWang et al.doi:10.1107/SActa Cryst.58349-17-0 Chemscene (2014). E70, osupplementary materialssupplementary materialsActa Cryst. (2014). E70, o250 [doi:10.1107/S1600536814000038]Methyl 3-phenylisoxazole-5-carboxylateLi Wang, Ya-jun Li, Yao-dong Li, Wei Zhang and Rui Xu1. Comment The wide occurrence of heterocycles, which include isoxazoles, in bioactive all-natural solutions, pharmaceuticals and agrochemicals has created them significant synthetic targets. They are of great importance in biological chemistry, displaying anticancer activity, and substituted isoxazoles have revealed antibacterial, antioxidant, insecticidal properties (Musad et al., 2011). Right here we report on the crystal structure from the title isoxazole derivative, synthesized by alcoholysis of 3-Phenylisoxazole-5-carbonyl chloride in dichloromethane. In the molecule of your title compound, Fig. 1, the dihedral angle between the phenyl as well as the isoxazole rings is 19.79 (12) ? This can be larger than that of 7.37 (19)?observed inside the associated compound Isopropyl 3-phenylisoxazole-5carboxylate (Wang et al., 2013), but the bond lengths within the isoxazole ring will be the similar. Within the crystal, molecules are linked by C–H hydrogen bonds (Table 1), forming layers lying parallel to (010).PMID:24423657 two. Experimental 3-Phenylisoxazole-5-carboxylic acid (10 mmol, 1.95 g; Wang et al., 2013) was dissolved in 100 ml dichloromethane, then thionyl chloride (12 mmol, 1.43 g) was added drop sensible although the option was stirred for 20 minutes in an ice bath. The solvent was removed under decreased pressure plus the mixture was utilized for the next step without the need of further purification. Methanol (20 mmol, 0.64 g) was then added plus the mixture stirred for six h at space temperature. The resulting residue was purified as a white strong (1.54 g; 76 yield). Recrystallization in dichloromethane gave fine colourless plate-like crystals suitable for X-ray diffraction analysis. 3. Refinement All H atoms have been placed in idealized positions and permitted to ride around the respective parent atom: C–H = 0.93?.96 ?with Uiso(H) = 1.5Ueq(C-methyl) and = 1.2Ueq(C) for other H atoms. Computing details Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); information reduction: SAINT (Bruker, 2008); plan(s.