Collis, Paul Graham (1975) X-ray studies of monochloroacetamide and benzanilide. Doctoral thesis, Keele University.

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Abstract

The crystal structures of monochloroacetamide and benzanilide have been determined by X-ray diffraction methods.
Monochloroacetamide was found to crystallise in the space group P2,1/c, with four molecules in the monoclinic unit cell of dimensions
a = 10.276 A b = 5.152 A c = 7.499 A 6 = 98.8°
The space group of benzanilide was found to be la with four molecules in the monoclinic unit cell of dimensions
a = 23.383 A b = 5.335 A c = 8.027 A 6 = 92.0°
Three dimensional intensity data for the monochloroacetamide structure were collected using the multiple film technique, the intensities were measured on a double beam recording microdensitometer. The structure was solved by the interpretation of a three dimensional Patterson Synthesis and was refined using Fourier, difference and least-squares methods. The hydrogen atoms were located in a three dimensional difference synthesis.
The carbo-amide plane was found to be planar with the chlorine-carbon bond inclined at 12° to this plane.
Three dimensional intensity data for benzanilide were collected using a three circle diffractometer. The structure was solved by the interpretation of Patterson syntheses. Refinement of the structure by the Parameter Shift method showed the structure to be disordered. This fact was substantiated by Weissenberg photographs. The amount of disorder from least-squares refinement was found to be 39%. The structure has been refined in the space groups la and I2/a. In both refinements the N-phenyl bond was found to be rotated by 38° from the amide plane. The C-phenyl bond was found to be rotated by 27° from the amide plane.

Item Type: Thesis (Doctoral)
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Natural Sciences > School of Chemical and Physical Sciences
Depositing User: Lisa Bailey
Date Deposited: 02 May 2019 15:15
Last Modified: 02 May 2019 15:15
URI: http://eprints.keele.ac.uk/id/eprint/6261

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