The Crystal Structure of m-Hydroxybenzamide

Abstract

Abstract Crystals of m-hydroxybenzamide are monoclinic with four molecules in a unit cell of dimensions a=11.59, b=5.03, c=15.53 Å, β=136.1°, space group P21⁄c. An approximate angular orientation of the molecule in the cell was quickly obtained by an application of the vector-set seeking method. The location of the molecule was then determined with the help of the orientation. The positional and anisotropic thermal parameters of the carbon, nitrogen and oxygen atoms were refined by means of the least-squares method with three-dimensional intensity data. The final R factor was 0.138. The carboxyamide group and benzene ring twist to each other about the C-C bond by an angle of 24.4°. The interatomic distances and bond angles are close to those expected. The molecules are linked by three types of hydrogen bonds to form the infinite double-layered sheets perpendicular to the c axis, and the crystal structure shows somewhat different features from those of the related compounds.