The Crystal Structures of Some Acid Salts and Related Compounds

Mills, Harold H (1962) The Crystal Structures of Some Acid Salts and Related Compounds. PhD thesis, University of Glasgow.

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This thesis describes a study of the crystal structures of some organic salts by X-ray methods. The thesis is divided into three chapters. Chapter One consists of a review of the theoretical principles underlying the elucidation and refinement of structures. Chapter Two, which is in five sections, is concerned with the crystal structures of the acid salts of some monobasic carboxylic acids. The interesting structural feature of these acid salts lies in the hydrogen bonding involved and, in the first section, this is discussed. The second section consists of a refinement of the structure of sodium hydrogen diacetate by the method of least-squares. Coordinates are assigned to the hydrogen atoms of the methyl group. In section three, a three-dimensional refinement of ammonium hydrogen dicinnamate by Fourier and least-squares methods is described. Section four contains a study of the isomorphous rubidium, potassium and ammonium acid salts of p-chlorobenzoic acid. The structure is solved by two-dimensional methods. Some three-dimensional data for the potassium salt, which have been corrected for absorption, are used in a least-squares refinement of the structure. Each, section is concluded with a discussion of the significance of the structure and molecular geometry obtained. In particular, these acid salts have structures in which the acidic groups are equivalent and are joined by a short hydrogen bond which is crystallographically symmetrical. This aspect is considered in the final section. Chapter Three is devoted to a study of the basic salt, N-alpha-picoline oxide hemihydrobromide. This salt is the basic analogue of the acid salts described in Chapter Two. The space group is C2/c and the structure is found by solving the Patterson projections along the b-axis and the C-face diagonal. For the interpretation of this latter projection, the lattice is described in terms of a primitive triclinic sub-cell. The two projections are used to give the three-dimensional structure referred to the monoclinic cell. The interesting feature of the structure is the presence of a short symmetrical hydrogen bond between the oxygen atoms of two N-alpha-picoline oxide molecules similar to the type observed In the acid salts.

Item Type: Thesis (PhD)
Qualification Level: Doctoral
Keywords: Organic chemistry, Physical chemistry
Date of Award: 1962
Depositing User: Enlighten Team
Unique ID: glathesis:1962-79442
Copyright: Copyright of this thesis is held by the author.
Date Deposited: 05 Mar 2020 09:44
Last Modified: 05 Mar 2020 09:44

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