Preface
The Centenary of von Laue and Bragg’s discovery and interpretation of the diffraction of X-ray by crystals prompted several Festschrifts celebrating the wonderful
achievements of X-ray crystallography during the last century. To a large extent, the
solving of the structures of small molecules has become relatively straightforward
and is accessible to many chemists who do not have long or mature knowledge of the
fundamentals of the subject. Although the danger of errors being made by less
experienced practitioners has not been completely eliminated, the software used to
process the raw data and refine the structures has become more sophisticated and
now provides additional steps to limit the introduction of obvious mistakes in space
group assignments and the introduction of doubtful procedures. These changes also
raise the important question regarding the directions in which small molecule
crystallography should be taking in the coming century. Paul Raithby and I decided
it would be useful to have a volume of Structure and Bonding summarising recent
developments in small molecule X-ray crystallography, identify problems that may
be encountered when using the technique and explore new techniques that point
towards future directions for the subject. These include the studies of structures as
they evolve under light irradiation, with high pressures or under a range of different
environmental conditions. We were also fortunate that several world leading experts
in the subject have agreed to provide chapters for this volume.
This introductory chapter on The Early History of X-Ray Crystallography by
Michael Mingos recounts the development of X-ray crystallography at the beginning
of the twentieth century by von Laue and the Braggs. The technique they discovered
did not enable scientists to look at the molecular world by looking through a more
powerful microscope, but it provided data that when processed enabled scientists to
calculate the structures of molecules and appreciate their three-dimensional structures. It provided the zeitgeist of our time, and the belief that knowledge of the
structure leads to a more profound understanding of the function and properties of
that class of molecule has influenced the developments of all sciences from physics
to medicine. It is a fascinating technique because unlike the optical microscope it
required the development of a deeper understanding of the way in which the X-rays
v
The Centenary of von Laue and Bragg’s discovery and interpretation of the diffraction of X-ray by crystals prompted several Festschrifts celebrating the wonderful
achievements of X-ray crystallography during the last century. To a large extent, the
solving of the structures of small molecules has become relatively straightforward
and is accessible to many chemists who do not have long or mature knowledge of the
fundamentals of the subject. Although the danger of errors being made by less
experienced practitioners has not been completely eliminated, the software used to
process the raw data and refine the structures has become more sophisticated and
now provides additional steps to limit the introduction of obvious mistakes in space
group assignments and the introduction of doubtful procedures. These changes also
raise the important question regarding the directions in which small molecule
crystallography should be taking in the coming century. Paul Raithby and I decided
it would be useful to have a volume of Structure and Bonding summarising recent
developments in small molecule X-ray crystallography, identify problems that may
be encountered when using the technique and explore new techniques that point
towards future directions for the subject. These include the studies of structures as
they evolve under light irradiation, with high pressures or under a range of different
environmental conditions. We were also fortunate that several world leading experts
in the subject have agreed to provide chapters for this volume.
This introductory chapter on The Early History of X-Ray Crystallography by
Michael Mingos recounts the development of X-ray crystallography at the beginning
of the twentieth century by von Laue and the Braggs. The technique they discovered
did not enable scientists to look at the molecular world by looking through a more
powerful microscope, but it provided data that when processed enabled scientists to
calculate the structures of molecules and appreciate their three-dimensional structures. It provided the zeitgeist of our time, and the belief that knowledge of the
structure leads to a more profound understanding of the function and properties of
that class of molecule has influenced the developments of all sciences from physics
to medicine. It is a fascinating technique because unlike the optical microscope it
required the development of a deeper understanding of the way in which the X-rays
v