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

Abstract

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.

Keywords

• crystal structure
• enamine
• isoxazole