Crystal structure of ethyl 3-(4-chloro­phen­yl)-5-[(E)-2-(di­methyl­amino)­ethen­yl]-1,2-oxazole-4-carboxyl­ate

Acta Crystallographica Section E: Crystallographic Communications

Slepukhin, P.¹  Efimov, I.²  Bakulev, V.² 

[1] I. Postovsky Institute of Organic Synthesis, Kovalevskoy 22 Ekaterinburg 620090, Russian Federation;Ural Federal University, Mira 19 Ekaterinburg 620002, Russian Federation

关键词: CRYSTAL STRUCTURE;    ENAMINE;    ISOXAZOLE;   

DOI  :  10.1107/S2056989015023257

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C16H17ClN2O3, two mol­ecules, A and B, with different conformations, comprise the asymmetric unit. In mol­ecule A, the C=O group of the ester points away from the benzene ring [C—C—C=O = −170.8 (3)°], whereas in mol­ecule B, it points back towards the benzene ring [C—C—C=O = 17.9 (4)°]. The dihedral angles betweeen the oxazole and benzene rings also differ somewhat [46.26 (13) for mol­ecule A and 41.59 (13) for mol­ecule B]. Each mol­ecule features an intra­molecular C—H⋯O inter­action, which closes an S(6) ring. In the crystal, the B mol­ecules are linked into [001] C(12) chains by weak C—H⋯Cl inter­actions.

【 授权许可】

CC BY