1-(2-thienyl)penta-1,3-diyne-5-ol (TD-OL), C9H6OS, M-r = 162.2 orthorhombic, Pbcn, a = 22.660(2), b = 7.482(1), c = 9.379(1) Angstrom, V = 1590.0(3) Angstrom(3); Z = 8, D-c = 1.355 Mgm(-3), mu = 0.338 mm(-1), F(000) = 672, lambda(MoKalpha) = 0.71069 Angstrom, final R and wR2 are 0.044 and 0.1266 respectively.

Crystal structure of 1-(2-thienyl)penta-1,3-diyne-5-ol

A computer program is described for drawing crystal structure illustrations using a mechanical plotter. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study. The most recent version of the program, OR TEP-II, has a hidden-line-elimination feature to omit those portions of atoms or bonds behind other atoms or bonds.

/pdf/or-tep-ii-a-fortran-thermal-ellipsoid-plot-program-for-4v5de10zgc.pdf

OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

Chemistry and physics of one-dimensional metals

The solid-state polymerization of disubstituted diacetylenes, either thermally or with ionizing radiation, can lead to a macroscopic polymer crystal product. The recent intensive investigations of this polymerization are reviewed. A brief outline of the history of diacetylene polymerization is presented. The constraints on the crystal structures of the monomers necessary for solid-state reactivity are outlined. X-ray structural data is used to identify the most important criterion for reactivity. The models developed to describe the kinetics of polymerization are presented in the context of available experimental data. Finally the details of the polymerization mechanism, as revealed by spectroscopic studies, are discussed.

Crystal structure of 1-(2-thienyl)penta-1,3-diyne-5-ol

References

OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

Chemistry and physics of one-dimensional metals

The Polymerization of Disubstituted Diacetylene Crystals

Synthesis and properties of some novel unsymmetrically substituted diacetylenes