Molecular packing modes. Part II. Crystal and molecular structures of trans-β-2-furylacrylamide

Abstract

The crystal structure of trans-β-2-furylacrylamide has been solved from partial three-dimensional photographically recorded data by means of SEARCH and refined with anisotropic temperature factors for carbon, oxygen, and nitrogen to R 0·07 and R′(the weighted value) 0·02. Bond lengths and angles between the heavy atoms have been determined with an estimated standard deviation of 0·005 Å; and 0·3°. Variations in the CC and C–O bond lengths of the furan ring are attributed to large thermal vibrations of three ring-atoms. The furan ring is planar within 0·006 Å deviations from planarity of the furylvinyl system are probably not significant. The dihedral angle between this system and the amide group is 3° 40′.

The crystal structure consists of glide-plane related centrosymmetric amide pairs located at (0,0,0), (½,½,0), (0,½,½), and (½,0,½), linked by a second set of hydrogen bonds along the a direction.