C. Brown, D. Corbridge
Nov 10, 1954
Citations
0
Influential Citations
87
Citations
Quality indicators
Journal
Acta Crystallographica
Abstract
The structure of crystalline acetanilide has been determined from its X-ray diffraction pattern. The crystals are orthorhombic with a = 19.640, b = 9.483, and c = 7.979 A, and space group Pbca. The trial structure was deduced from the packing and was checked by the use of polarized infra-red radiation. The approximate atomic co-ordinates were refixmd by standard three-dimensional Fourier syntheses, utilizing finally 1,513 experimental structure amplitudes. Corrections were made for termination of series errors by computing an Fc synthesis. Molecules of acetanilide are linked together in chains by N-H-O hydrogen bonds of length 2.969 /~. A single molecule lies approximately in two planes, one containing the aniline portion, and the other the acetyl group, inclined to each other at 37 ° 54'. Slight distortions occur owing to steric hindrance. Hydrogen atoms, including that in the hydrogen bond, have been located by difference syntheses, and the geometry of the molecule has been examined in some detail.